2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine

C15H32N2 — CID 43293551

IUPAC2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
SMILESCCCCN(CC)C1CC(CC)CCC1CN
InChIInChI=1S/C15H32N2/c1-4-7-10-17(6-3)15-11-13(5-2)8-9-14(15)12-16/h13-15H,4-12,16H2,1-3H3
InChIKeyCTOXKHARLOPIFM-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.26
Rot. Bonds7

About 2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine

2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine (PubChem CID 43293551) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
PubChem CID43293551
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
SMILESCCCCN(CC)C1CC(CC)CCC1CN
InChIInChI=1S/C15H32N2/c1-4-7-10-17(6-3)15-11-13(5-2)8-9-14(15)12-16/h13-15H,4-12,16H2,1-3H3
InChIKeyCTOXKHARLOPIFM-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.26
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-ethylcyclohexan-1-amine
CID 43293554
2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293547
3-[butyl(ethyl)amino]-4-ethylcyclohexan-1-ol
CID 165491780
2-(aminomethyl)-N-benzyl-5-ethyl-N-propylcyclohexan-1-amine
CID 43588332
methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate
CID 63404331
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397
2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine
CID 63955967
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707
2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61427073
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcyclobutan-1-amine
CID 81004788
(4-ethyl-2-octylcyclohexyl)methanamine
CID 81012449

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine (CID 43293551) is 2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine is CCCCN(CC)C1CC(CC)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine?
The InChIKey is CTOXKHARLOPIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-7-10-17(6-3)15-11-13(5-2)8-9-14(15)12-16/h13-15H,4-12,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine?
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine is sourced from PubChem (CID 43293551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).