1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine

C14H28N2 — CID 43568986

IUPAC1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)C(C)C2CC2)C1
InChIInChI=1S/C14H28N2/c1-11-5-4-8-14(9-11,10-15)16(3)12(2)13-6-7-13/h11-13H,4-10,15H2,1-3H3
InChIKeyKLBDNVIUQDKKNI-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.62
Rot. Bonds4

About 1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine (PubChem CID 43568986) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine
PubChem CID43568986
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)C(C)C2CC2)C1
InChIInChI=1S/C14H28N2/c1-11-5-4-8-14(9-11,10-15)16(3)12(2)13-6-7-13/h11-13H,4-10,15H2,1-3H3
InChIKeyKLBDNVIUQDKKNI-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188208
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
CID 62007114
1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine
CID 62009417
2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
1-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylcyclopentan-1-amine
CID 64501372
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclopentan-1-amine
CID 105413972
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine
CID 63471584
1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112588440
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62006773
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449048

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine (CID 43568986) is 1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine is CC1CCCC(CN)(N(C)C(C)C2CC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine?
The InChIKey is KLBDNVIUQDKKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-5-4-8-14(9-11,10-15)16(3)12(2)13-6-7-13/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43568986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).