N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine

C15H31NO3 — CID 106668088

IUPACN-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(COCCC(C)(C)OC)O1
InChIInChI=1S/C15H31NO3/c1-5-9-16-11-13-6-7-14(19-13)12-18-10-8-15(2,3)17-4/h13-14,16H,5-12H2,1-4H3
InChIKeyPLDKFQLNLZEERO-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.37
Rot. Bonds10

About N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 106668088) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID106668088
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC NameN-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(COCCC(C)(C)OC)O1
InChIInChI=1S/C15H31NO3/c1-5-9-16-11-13-6-7-14(19-13)12-18-10-8-15(2,3)17-4/h13-14,16H,5-12H2,1-4H3
InChIKeyPLDKFQLNLZEERO-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 82959151
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62450434
N-[[5-(2-butoxyethoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62457736
N-[[5-[2-(2-methylpropoxy)ethoxymethyl]oxolan-2-yl]methyl]propan-1-amine
CID 106450120
N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62443251
N-methyl-N-[2-[[5-(propylaminomethyl)oxolan-2-yl]methoxy]ethyl]cyclopropanamine
CID 102741032
N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55232861
N-[[5-(4,4,4-trifluorobutoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 82793017
N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55077566
N-(iodomethyl)-1-[(2S,5R)-5-(octadecoxymethyl)oxolan-2-yl]methanamine
CID 144869857
N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 55077944
N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 82958605

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine (CID 106668088) is N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(COCCC(C)(C)OC)O1.
What is the InChIKey of N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is PLDKFQLNLZEERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-5-9-16-11-13-6-7-14(19-13)12-18-10-8-15(2,3)17-4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106668088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).