3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine

C14H29N — CID 81015890

IUPAC3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine
SMILESCCC1CCC(C(C)C(C)CNC)CC1
InChIInChI=1S/C14H29N/c1-5-13-6-8-14(9-7-13)12(3)11(2)10-15-4/h11-15H,5-10H2,1-4H3
InChIKeyTYUIGFCXNHWHLL-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.69
Rot. Bonds5

About 3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine

3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine (PubChem CID 81015890) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine
PubChem CID81015890
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine
SMILESCCC1CCC(C(C)C(C)CNC)CC1
InChIInChI=1S/C14H29N/c1-5-13-6-8-14(9-7-13)12(3)11(2)10-15-4/h11-15H,5-10H2,1-4H3
InChIKeyTYUIGFCXNHWHLL-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-N,2-dimethylbutan-1-amine
CID 81015775
3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79413799
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
N-ethyl-1-(4-ethylcyclohexyl)-2-methylbutan-1-amine
CID 64775258
7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine
CID 126554886
1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine
CID 65132236
N-[cycloheptyl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65399653
N-ethyl-1-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 64776246
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
3-cyclopentyl-N,2-dimethylpropan-1-amine
CID 62530877
1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane
CID 79298120
N-cyclopropyl-N-(4-ethylcyclohexyl)-2-methyl-3-(methylamino)propanamide
CID 119733275

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine (CID 81015890) is 3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine is CCC1CCC(C(C)C(C)CNC)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine?
The InChIKey is TYUIGFCXNHWHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-13-6-8-14(9-7-13)12(3)11(2)10-15-4/h11-15H,5-10H2,1-4H3.
What are the key properties of 3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine?
3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 81015890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).