1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine

C14H29N — CID 63863276

IUPAC1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine
SMILESCCC1CCCCC1C(NC)C(C)(C)C
InChIInChI=1S/C14H29N/c1-6-11-9-7-8-10-12(11)13(15-5)14(2,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyVWCOVRHFDBVFQZ-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds3

About 1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine

1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 63863276) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine
PubChem CID63863276
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine
SMILESCCC1CCCCC1C(NC)C(C)(C)C
InChIInChI=1S/C14H29N/c1-6-11-9-7-8-10-12(11)13(15-5)14(2,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyVWCOVRHFDBVFQZ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylcyclohexyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063279
1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
CID 115862666
1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311979
1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine
CID 79058322
N,N-diethyl-1-(2-ethylcyclohexyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240890
[2-(azepan-1-yl)-1-(2-ethylcyclohexyl)-2-methylpropyl]hydrazine
CID 105240345
N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine
CID 116761289
1-(2-ethylcyclohexyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65409841
1-(2-ethylcyclohexyl)-N-methylhexan-1-amine
CID 115862819
1-(2-ethylcyclohexyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 115862729
2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine
CID 65133118
2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine
CID 116761523

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine (CID 63863276) is 1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine is CCC1CCCCC1C(NC)C(C)(C)C.
What is the InChIKey of 1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is VWCOVRHFDBVFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-11-9-7-8-10-12(11)13(15-5)14(2,3)4/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine?
1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 63863276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).