1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine

C14H30N2 — CID 65385412

IUPAC1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)CNC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-11(2)9-16-14(10-15)7-5-13(6-8-14)12(3)4/h11-13,16H,5-10,15H2,1-4H3
InChIKeyIXOXMKXQMHIIHF-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.78
Rot. Bonds5

About 1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 65385412) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID65385412
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)CNC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-11(2)9-16-14(10-15)7-5-13(6-8-14)12(3)4/h11-13,16H,5-10,15H2,1-4H3
InChIKeyIXOXMKXQMHIIHF-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 65089340
1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 65385184
1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine
CID 65383023
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449251
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
CID 65377199
1-(aminomethyl)-N-(2-cyclopropylpropyl)-3-propan-2-ylcyclobutan-1-amine
CID 103563150
1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine
CID 113465530
1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 114416143
1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912303
1-(aminomethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379764
1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912648
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline
CID 65379712

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine (CID 65385412) is 1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)CNC1(CN)CCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is IXOXMKXQMHIIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)9-16-14(10-15)7-5-13(6-8-14)12(3)4/h11-13,16H,5-10,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 65385412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).