[3-(aminomethyl)-3-benzylcyclohexyl]methanamine

C15H24N2 — CID 154699226

IUPAC[3-(aminomethyl)-3-benzylcyclohexyl]methanamine
SMILESNCC1CCCC(CN)(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2/c16-11-14-7-4-8-15(10-14,12-17)9-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16-17H2
InChIKeyHIYUGUGBNSNQAW-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.32
Rot. Bonds4

About [3-(aminomethyl)-3-benzylcyclohexyl]methanamine

[3-(aminomethyl)-3-benzylcyclohexyl]methanamine (PubChem CID 154699226) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [3-(aminomethyl)-3-benzylcyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)-3-benzylcyclohexyl]methanamine
PubChem CID154699226
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[3-(aminomethyl)-3-benzylcyclohexyl]methanamine
SMILESNCC1CCCC(CN)(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2/c16-11-14-7-4-8-15(10-14,12-17)9-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16-17H2
InChIKeyHIYUGUGBNSNQAW-UHFFFAOYSA-N
XLogP2.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
(3-benzylpyrrolidin-3-yl)methanamine
CID 142188778
2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid
CID 69439293
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
[3-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65409026
[3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65407301
[4-[[1-(aminomethyl)cyclopentyl]methyl]phenyl]methanol
CID 18999623
[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65393215
[3-ethyl-1-[(3-fluoro-5-nitrophenyl)methyl]cyclohexyl]methanamine
CID 115981564
[1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine
CID 69118044

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-benzylcyclohexyl]methanamine?
The IUPAC name of [3-(aminomethyl)-3-benzylcyclohexyl]methanamine (CID 154699226) is [3-(aminomethyl)-3-benzylcyclohexyl]methanamine.
What is the SMILES notation for [3-(aminomethyl)-3-benzylcyclohexyl]methanamine?
The canonical SMILES for [3-(aminomethyl)-3-benzylcyclohexyl]methanamine is NCC1CCCC(CN)(Cc2ccccc2)C1.
What is the InChIKey of [3-(aminomethyl)-3-benzylcyclohexyl]methanamine?
The InChIKey is HIYUGUGBNSNQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c16-11-14-7-4-8-15(10-14,12-17)9-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16-17H2.
What are the key properties of [3-(aminomethyl)-3-benzylcyclohexyl]methanamine?
[3-(aminomethyl)-3-benzylcyclohexyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-benzylcyclohexyl]methanamine is sourced from PubChem (CID 154699226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).