(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine

C18H29NO2 — CID 15426191

IUPAC(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine
SMILESCCCC[C@@H](N[C@H](C)c1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C18H29NO2/c1-5-6-12-16(17-13-20-18(3,4)21-17)19-14(2)15-10-8-7-9-11-15/h7-11,14,16-17,19H,5-6,12-13H2,1-4H3/t14-,16-,17+/m1/s1
InChIKeyLVWOJMSKWMKMDQ-OIISXLGYSA-N
MW291.44 g/mol
LogP4.05
Rot. Bonds7

About (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine

(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine (PubChem CID 15426191) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine.

Molecular Properties

Compound Name(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine
PubChem CID15426191
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine
SMILESCCCC[C@@H](N[C@H](C)c1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C18H29NO2/c1-5-6-12-16(17-13-20-18(3,4)21-17)19-14(2)15-10-8-7-9-11-15/h7-11,14,16-17,19H,5-6,12-13H2,1-4H3/t14-,16-,17+/m1/s1
InChIKeyLVWOJMSKWMKMDQ-OIISXLGYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 66953641
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1-phenylethyl)ethanamine
CID 72529243
N-(1-phenylethyl)hexan-2-amine
CID 43755937
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]but-2-yn-1-amine
CID 102079093
tributyl-[(1R)-1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxy]propyl]stannane
CID 15358411
ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-phenylpropanoate
CID 59008167
(2R)-N-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine
CID 90138229
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine
CID 68893526
(4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane
CID 71534406
dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium
CID 22750561
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine;N-benzyl-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine
CID 158740131

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine?
The IUPAC name of (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine (CID 15426191) is (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine.
What is the SMILES notation for (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine?
The canonical SMILES for (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine is CCCC[C@@H](N[C@H](C)c1ccccc1)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine?
The InChIKey is LVWOJMSKWMKMDQ-OIISXLGYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-6-12-16(17-13-20-18(3,4)21-17)19-14(2)15-10-8-7-9-11-15/h7-11,14,16-17,19H,5-6,12-13H2,1-4H3/t14-,16-,17+/m1/s1.
What are the key properties of (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine?
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1R)-1-phenylethyl]pentan-1-amine is sourced from PubChem (CID 15426191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).