1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine

C15H32N2 — CID 64760554

IUPAC1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine
SMILESCCC(C)N(CC)C1(CN)CC(C)CCC1C
InChIInChI=1S/C15H32N2/c1-6-14(5)17(7-2)15(11-16)10-12(3)8-9-13(15)4/h12-14H,6-11,16H2,1-5H3
InChIKeyIBPFNXAMPKGDDJ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.26
Rot. Bonds5

About 1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine (PubChem CID 64760554) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine
PubChem CID64760554
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine
SMILESCCC(C)N(CC)C1(CN)CC(C)CCC1C
InChIInChI=1S/C15H32N2/c1-6-14(5)17(7-2)15(11-16)10-12(3)8-9-13(15)4/h12-14H,6-11,16H2,1-5H3
InChIKeyIBPFNXAMPKGDDJ-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine
CID 64760156
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine
CID 64762162
1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 65045613
1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64761981
2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188091
1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine
CID 106663071
1-(aminomethyl)-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexan-1-amine
CID 64761340
2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892414
3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine
CID 82717640
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine
CID 64762174
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321382
1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872183

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine (CID 64760554) is 1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine is CCC(C)N(CC)C1(CN)CC(C)CCC1C.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine?
The InChIKey is IBPFNXAMPKGDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-14(5)17(7-2)15(11-16)10-12(3)8-9-13(15)4/h12-14H,6-11,16H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64760554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).