1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine

C14H28N2 — CID 63955339

IUPAC1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine
SMILESCCN(CC1CC1)C1(CN)CCCCC1C
InChIInChI=1S/C14H28N2/c1-3-16(10-13-7-8-13)14(11-15)9-5-4-6-12(14)2/h12-13H,3-11,15H2,1-2H3
InChIKeyCDGJLYOOXLVSGG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.63
Rot. Bonds5

About 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine

1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine (PubChem CID 63955339) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine
PubChem CID63955339
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine
SMILESCCN(CC1CC1)C1(CN)CCCCC1C
InChIInChI=1S/C14H28N2/c1-3-16(10-13-7-8-13)14(11-15)9-5-4-6-12(14)2/h12-13H,3-11,15H2,1-2H3
InChIKeyCDGJLYOOXLVSGG-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 65045427
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine
CID 65045428
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-2-methylcyclopentan-1-amine
CID 65044888
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641
2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188091
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 65458490
1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 63725587
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylcyclohexan-1-amine
CID 61453024
1-(aminomethyl)-N,2-dimethyl-N-propylcyclopentan-1-amine
CID 65045561
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 107397761
8-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylspiro[4.5]decan-8-amine
CID 107397723
1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 112658341

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine (CID 63955339) is 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine is CCN(CC1CC1)C1(CN)CCCCC1C.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine?
The InChIKey is CDGJLYOOXLVSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-16(10-13-7-8-13)14(11-15)9-5-4-6-12(14)2/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine?
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine is sourced from PubChem (CID 63955339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).