2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine

C19H32N2 — CID 43588332

IUPAC2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine
SMILESCCCN(Cc1ccccc1)C1CC(CC)CCC1CN
InChIInChI=1S/C19H32N2/c1-3-12-21(15-17-8-6-5-7-9-17)19-13-16(4-2)10-11-18(19)14-20/h5-9,16,18-19H,3-4,10-15,20H2,1-2H3
InChIKeyQMSJQGBPFLZBMR-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.05
Rot. Bonds7

About 2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine

2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine (PubChem CID 43588332) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine
PubChem CID43588332
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine
SMILESCCCN(Cc1ccccc1)C1CC(CC)CCC1CN
InChIInChI=1S/C19H32N2/c1-3-12-21(15-17-8-6-5-7-9-17)19-13-16(4-2)10-11-18(19)14-20/h5-9,16,18-19H,3-4,10-15,20H2,1-2H3
InChIKeyQMSJQGBPFLZBMR-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
CID 43478976
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551
methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate
CID 63404331
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
2-[benzyl(ethyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 63068416
2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol
CID 61424825
2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol
CID 61424771
N,N-dibenzyl-2-butylcyclopropan-1-amine
CID 86030986
2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61427073
N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293547
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine (CID 43588332) is 2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine is CCCN(Cc1ccccc1)C1CC(CC)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is QMSJQGBPFLZBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-12-21(15-17-8-6-5-7-9-17)19-13-16(4-2)10-11-18(19)14-20/h5-9,16,18-19H,3-4,10-15,20H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine?
2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 43588332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).