N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine

C16H26N2 — CID 62877519

IUPACN'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine
SMILESCC1(NCC(CN)c2ccccc2)CCCCC1
InChIInChI=1S/C16H26N2/c1-16(10-6-3-7-11-16)18-13-15(12-17)14-8-4-2-5-9-14/h2,4-5,8-9,15,18H,3,6-7,10-13,17H2,1H3
InChIKeyWPGYQWVFYNQCMC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds5

About N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine

N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine (PubChem CID 62877519) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine
PubChem CID62877519
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine
SMILESCC1(NCC(CN)c2ccccc2)CCCCC1
InChIInChI=1S/C16H26N2/c1-16(10-6-3-7-11-16)18-13-15(12-17)14-8-4-2-5-9-14/h2,4-5,8-9,15,18H,3,6-7,10-13,17H2,1H3
InChIKeyWPGYQWVFYNQCMC-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135
N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine
CID 65041354
4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine
CID 124616999
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol
CID 81133448
3-methoxy-2-phenylpropan-1-amine
CID 66968828
3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119950222
1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine
CID 55060313
(2S)-2-[(1-methylcyclohexyl)carbamoylamino]-2-phenylacetic acid
CID 104899019
3-[(4-methyloxan-4-yl)amino]-2-phenylpropanoic acid
CID 113491071
2-phenylpentan-1-amine
CID 14321247
2-[2-[[(1-methylcyclohexyl)amino]methyl]phenyl]acetic acid
CID 115461860

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine (CID 62877519) is N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine is CC1(NCC(CN)c2ccccc2)CCCCC1.
What is the InChIKey of N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine?
The InChIKey is WPGYQWVFYNQCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(10-6-3-7-11-16)18-13-15(12-17)14-8-4-2-5-9-14/h2,4-5,8-9,15,18H,3,6-7,10-13,17H2,1H3.
What are the key properties of N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine?
N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 62877519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).