1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

C17H26N2 — CID 62133228

IUPAC1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESNC1(CN2CCC(c3ccccc3)C2)CCCCC1
InChIInChI=1S/C17H26N2/c18-17(10-5-2-6-11-17)14-19-12-9-16(13-19)15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14,18H2
InChIKeyXDIZOWHCNYJCQZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.14
Rot. Bonds3

About 1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine

1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 62133228) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID62133228
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
SMILESNC1(CN2CCC(c3ccccc3)C2)CCCCC1
InChIInChI=1S/C17H26N2/c18-17(10-5-2-6-11-17)14-19-12-9-16(13-19)15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14,18H2
InChIKeyXDIZOWHCNYJCQZ-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(azepan-1-yl)-2-(3-phenylpyrrolidin-1-yl)ethyl]azepane
CID 67642136
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
1-[[2-(3-phenylpyrrolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 91842994
2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62488099
3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62272327
(3R)-3-phenyl-1-prop-2-enylpyrrolidine
CID 1414729
2-[4-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(3,4,5-13C3)azinan-1-yl]-1,1,2,2-tetradeuterio(113C)ethanamine
CID 89308417
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile
CID 62131596
(3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine
CID 67175624
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-amine
CID 79943257

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine (CID 62133228) is 1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is NC1(CN2CCC(c3ccccc3)C2)CCCCC1.
What is the InChIKey of 1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is XDIZOWHCNYJCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-17(10-5-2-6-11-17)14-19-12-9-16(13-19)15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14,18H2.
What are the key properties of 1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine?
1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62133228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).