1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine

C18H30N2 — CID 65193606

IUPAC1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(NC(C)c2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-7-16-10-12-18(14-19,13-11-16)20-15(2)17-8-5-4-6-9-17/h4-6,8-9,15-16,20H,3,7,10-14,19H2,1-2H3
InChIKeyDJWYOAGPMZBXTN-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.03
Rot. Bonds6

About 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine

1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine (PubChem CID 65193606) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine
PubChem CID65193606
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(NC(C)c2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-7-16-10-12-18(14-19,13-11-16)20-15(2)17-8-5-4-6-9-17/h4-6,8-9,15-16,20H,3,7,10-14,19H2,1-2H3
InChIKeyDJWYOAGPMZBXTN-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine
CID 65193341
1-(aminomethyl)-N-(1-phenylethyl)cyclopropan-1-amine
CID 106661264
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine
CID 65193981
1-(aminomethyl)-N-benzyl-4-propylcycloheptan-1-amine
CID 65384430
3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine
CID 79950710
1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine
CID 65194136
(1-phenyl-4-propylcyclohexyl)benzene
CID 22919269
1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine
CID 65091488
N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine
CID 65382362
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline
CID 65379712

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine (CID 65193606) is 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine is CCCC1CCC(CN)(NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine?
The InChIKey is DJWYOAGPMZBXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-7-16-10-12-18(14-19,13-11-16)20-15(2)17-8-5-4-6-9-17/h4-6,8-9,15-16,20H,3,7,10-14,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine?
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 65193606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).