4-(4-ethylcyclohexyl)-4-methylpentan-2-amine

C14H29N — CID 64774086

IUPAC4-(4-ethylcyclohexyl)-4-methylpentan-2-amine
SMILESCCC1CCC(C(C)(C)CC(C)N)CC1
InChIInChI=1S/C14H29N/c1-5-12-6-8-13(9-7-12)14(3,4)10-11(2)15/h11-13H,5-10,15H2,1-4H3
InChIKeySOZZCIZYDAOUAD-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.97
Rot. Bonds4

About 4-(4-ethylcyclohexyl)-4-methylpentan-2-amine

4-(4-ethylcyclohexyl)-4-methylpentan-2-amine (PubChem CID 64774086) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)-4-methylpentan-2-amine
PubChem CID64774086
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name4-(4-ethylcyclohexyl)-4-methylpentan-2-amine
SMILESCCC1CCC(C(C)(C)CC(C)N)CC1
InChIInChI=1S/C14H29N/c1-5-12-6-8-13(9-7-12)14(3,4)10-11(2)15/h11-13H,5-10,15H2,1-4H3
InChIKeySOZZCIZYDAOUAD-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
CID 142995371
3-(4-ethylcyclohexyl)-3-methylbutanoic acid
CID 81004196
(4-cyclopropyl-2-methylpentan-2-yl)cyclopropane
CID 90927036
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 81023448
[(4-tert-butylcyclohexyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105232715
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethanamine;ethylcyclopropane
CID 70018487
2-cyclohexyl-1-(4-ethylcyclohexyl)ethanamine
CID 65394351
1-ethyl-3-(2-methylbutan-2-yl)cyclopentane
CID 123901390
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)-4-methylpentan-2-amine?
The IUPAC name of 4-(4-ethylcyclohexyl)-4-methylpentan-2-amine (CID 64774086) is 4-(4-ethylcyclohexyl)-4-methylpentan-2-amine.
What is the SMILES notation for 4-(4-ethylcyclohexyl)-4-methylpentan-2-amine?
The canonical SMILES for 4-(4-ethylcyclohexyl)-4-methylpentan-2-amine is CCC1CCC(C(C)(C)CC(C)N)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)-4-methylpentan-2-amine?
The InChIKey is SOZZCIZYDAOUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-12-6-8-13(9-7-12)14(3,4)10-11(2)15/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 4-(4-ethylcyclohexyl)-4-methylpentan-2-amine?
4-(4-ethylcyclohexyl)-4-methylpentan-2-amine has a molecular weight of 211.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)-4-methylpentan-2-amine is sourced from PubChem (CID 64774086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).