1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine

C13H28N2 — CID 107449080

IUPAC1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1(CN)CCCC(C(C)C)C1
InChIInChI=1S/C13H28N2/c1-4-8-15-13(10-14)7-5-6-12(9-13)11(2)3/h11-12,15H,4-10,14H2,1-3H3
InChIKeyCGNKVPYJBVETCC-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.53
Rot. Bonds5

About 1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine

1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 107449080) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID107449080
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1(CN)CCCC(C(C)C)C1
InChIInChI=1S/C13H28N2/c1-4-8-15-13(10-14)7-5-6-12(9-13)11(2)3/h11-12,15H,4-10,14H2,1-3H3
InChIKeyCGNKVPYJBVETCC-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(aminomethyl)-3-propan-2-ylcyclohexyl]amino]propan-1-ol
CID 107449168
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449251
methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 107450553
1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine
CID 107449145
1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 65089340
1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106872430
1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449241
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
CID 65377199
1-(aminomethyl)-N-but-3-enyl-4-propan-2-ylcycloheptan-1-amine
CID 113465530
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-2,6-dimethylpiperidin-1-amine
CID 107449208
1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine
CID 65383023
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-4-methoxyaniline
CID 107449144

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine (CID 107449080) is 1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1(CN)CCCC(C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is CGNKVPYJBVETCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-8-15-13(10-14)7-5-6-12(9-13)11(2)3/h11-12,15H,4-10,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine?
1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107449080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).