1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine

C14H30N2 — CID 64677307

IUPAC1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine
SMILESCC(C)CCN(C)CCC1(N)CCCCC1
InChIInChI=1S/C14H30N2/c1-13(2)7-11-16(3)12-10-14(15)8-5-4-6-9-14/h13H,4-12,15H2,1-3H3
InChIKeyMOFJLSNNICJMLZ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.02
Rot. Bonds6

About 1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine

1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine (PubChem CID 64677307) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine
PubChem CID64677307
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine
SMILESCC(C)CCN(C)CCC1(N)CCCCC1
InChIInChI=1S/C14H30N2/c1-13(2)7-11-16(3)12-10-14(15)8-5-4-6-9-14/h13H,4-12,15H2,1-3H3
InChIKeyMOFJLSNNICJMLZ-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[ethyl(2-methylpropyl)amino]ethyl]cyclohexan-1-amine
CID 64679294
1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 64682462
1-[2-[butan-2-yl(methyl)amino]ethyl]cyclohexan-1-amine
CID 64679108
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
CID 79858912
1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine
CID 114011161
1-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79844292
1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine
CID 64676910
1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 64679118
1-[3-(dimethylamino)propyl]cyclohexan-1-amine
CID 115074301
1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79842509
1-(1-aminocyclohexyl)-6-methylheptan-2-one
CID 116579027
1-[2-(5-methylhexylamino)ethyl]cyclohexan-1-amine
CID 115326044

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine (CID 64677307) is 1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine is CC(C)CCN(C)CCC1(N)CCCCC1.
What is the InChIKey of 1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine?
The InChIKey is MOFJLSNNICJMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2)7-11-16(3)12-10-14(15)8-5-4-6-9-14/h13H,4-12,15H2,1-3H3.
What are the key properties of 1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine?
1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(3-methylbutyl)amino]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64677307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).