1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine

C14H30N2 — CID 43570878

IUPAC1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
SMILESCCC(CC)N(C)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H30N2/c1-5-13(6-2)16(4)14(11-15)9-7-12(3)8-10-14/h12-13H,5-11,15H2,1-4H3
InChIKeyQFUWDKNWANMRMO-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds5

About 1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine

1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine (PubChem CID 43570878) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
PubChem CID43570878
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
SMILESCCC(CC)N(C)C1(CN)CCC(C)CC1
InChIInChI=1S/C14H30N2/c1-5-13(6-2)16(4)14(11-15)9-7-12(3)8-10-14/h12-13H,5-11,15H2,1-4H3
InChIKeyQFUWDKNWANMRMO-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115985663
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
CID 115985690
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
1-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)cycloheptan-1-amine
CID 65084874
1-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylcyclopentan-1-amine
CID 64501372
4-methyl-1-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylic acid
CID 114991451
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine
CID 63465615
4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65078658
1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 63487333
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine (CID 43570878) is 1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine is CCC(CC)N(C)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
The InChIKey is QFUWDKNWANMRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13(6-2)16(4)14(11-15)9-7-12(3)8-10-14/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine?
1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine is sourced from PubChem (CID 43570878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).