5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine

C19H37NO7 — CID 11361329

IUPAC5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine
SMILESCOCO[C@H]([C@@H]1OC(C)(C)O[C@H]1COCCCCCN)[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H37NO7/c1-18(2)24-12-15(25-18)16(23-13-21-5)17-14(26-19(3,4)27-17)11-22-10-8-6-7-9-20/h14-17H,6-13,20H2,1-5H3/t14-,15+,16-,17+/m0/s1
InChIKeyUTWJESDFVPJAMT-VVLHAWIVSA-N
MW391.51 g/mol
LogP1.79
Rot. Bonds12

About 5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine

5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine (PubChem CID 11361329) has the molecular formula C19H37NO7 and a molecular weight of 391.51 g/mol. Its IUPAC name is 5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine
PubChem CID11361329
Molecular FormulaC19H37NO7
Molecular Weight391.51 g/mol
Exact Mass391.26
IUPAC Name5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine
SMILESCOCO[C@H]([C@@H]1OC(C)(C)O[C@H]1COCCCCCN)[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H37NO7/c1-18(2)24-12-15(25-18)16(23-13-21-5)17-14(26-19(3,4)27-17)11-22-10-8-6-7-9-20/h14-17H,6-13,20H2,1-5H3/t14-,15+,16-,17+/m0/s1
InChIKeyUTWJESDFVPJAMT-VVLHAWIVSA-N
XLogP1.79
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine with MolForge

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Related Compounds

5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentyl-methyl-di(tetradecyl)azanium iodide
CID 11193890
2-[[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-(2-methoxyprop-2-enyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]methoxy]ethyl-trimethylsilane
CID 15663110
2-[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N-[2-[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]ethanamine
CID 100983372
[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
CID 14864456
ethyl (2S,5S,6R)-6-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-5-hydroxy-4-oxooxane-2-carboxylate
CID 101055262
[(4R,5S)-5-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 88611660
2-[(4S,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 24814903
ethyl 3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 15596056
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde
CID 11149311
(2S,5S)-5-[(1S)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-(methoxymethoxy)propyl]oxolane-2-carbaldehyde
CID 10885578
[(3S,4R)-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-4-methylsulfonyloxybutyl] methanesulfonate
CID 10951276
(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294

Frequently Asked Questions

What is the IUPAC name of 5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine?
The IUPAC name of 5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine (CID 11361329) is 5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine.
What is the SMILES notation for 5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine?
The canonical SMILES for 5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine is COCO[C@H]([C@@H]1OC(C)(C)O[C@H]1COCCCCCN)[C@H]1COC(C)(C)O1.
What is the InChIKey of 5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine?
The InChIKey is UTWJESDFVPJAMT-VVLHAWIVSA-N. The full InChI is InChI=1S/C19H37NO7/c1-18(2)24-12-15(25-18)16(23-13-21-5)17-14(26-19(3,4)27-17)11-22-10-8-6-7-9-20/h14-17H,6-13,20H2,1-5H3/t14-,15+,16-,17+/m0/s1.
What are the key properties of 5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine?
5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine has a molecular weight of 391.51 g/mol, XLogP of 1.79, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4S,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pentan-1-amine is sourced from PubChem (CID 11361329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).