1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine

C12H26N2 — CID 64760156

IUPAC1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine
SMILESCCN(C)C1(CN)CC(C)CCC1C
InChIInChI=1S/C12H26N2/c1-5-14(4)12(9-13)8-10(2)6-7-11(12)3/h10-11H,5-9,13H2,1-4H3
InChIKeyABESIVUXWNMHMB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds3

About 1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine (PubChem CID 64760156) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine
PubChem CID64760156
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine
SMILESCCN(C)C1(CN)CC(C)CCC1C
InChIInChI=1S/C12H26N2/c1-5-14(4)12(9-13)8-10(2)6-7-11(12)3/h10-11H,5-9,13H2,1-4H3
InChIKeyABESIVUXWNMHMB-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine
CID 64760554
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine
CID 64762162
1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
CID 64762726
1-(aminomethyl)-N,2-dimethyl-N-propylcyclopentan-1-amine
CID 65045561
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine
CID 64762174
[1-(2,2-dimethylhydrazinyl)-2,5-dimethylcyclohexyl]methanamine
CID 83010884
N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline
CID 64762934
1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64762159
1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131
1-(aminomethyl)-N-ethyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872163
1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64761981
N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65045165

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine (CID 64760156) is 1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine is CCN(C)C1(CN)CC(C)CCC1C.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine?
The InChIKey is ABESIVUXWNMHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-14(4)12(9-13)8-10(2)6-7-11(12)3/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64760156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).