2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine

C12H26N2 — CID 43293723

IUPAC2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCN(C)C1CC(C)CCC1CN
InChIInChI=1S/C12H26N2/c1-4-7-14(3)12-8-10(2)5-6-11(12)9-13/h10-12H,4-9,13H2,1-3H3
InChIKeyQQRQZAHNFJTHIB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds4

About 2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine

2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 43293723) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID43293723
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCN(C)C1CC(C)CCC1CN
InChIInChI=1S/C12H26N2/c1-4-7-14(3)12-8-10(2)5-6-11(12)9-13/h10-12H,4-9,13H2,1-3H3
InChIKeyQQRQZAHNFJTHIB-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 81058683
3-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N-methylpropanamide
CID 106914843
2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]ethanol
CID 61424769
2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide
CID 43374685
2-[[2-(aminomethyl)-5-methylcyclohexyl]-propylamino]-N,N-dimethylacetamide
CID 54985135
2-(aminomethyl)-N-(furan-3-ylmethyl)-N,5-dimethylcyclohexan-1-amine
CID 61421776
2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61427073
2-(aminomethyl)-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 63013726
2-(aminomethyl)-5-methylcyclohexan-1-amine
CID 62070304
N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline
CID 43428482
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine
CID 54985664
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine (CID 43293723) is 2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine is CCCN(C)C1CC(C)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is QQRQZAHNFJTHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-7-14(3)12-8-10(2)5-6-11(12)9-13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine?
2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 43293723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).