3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine

C13H27N — CID 165498628

IUPAC3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)CC1C(C)(C)C
InChIInChI=1S/C13H27N/c1-6-10-7-8-11(14-5)9-12(10)13(2,3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyPCLHCEQCBJROPK-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds2

About 3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine

3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 165498628) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID165498628
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)CC1C(C)(C)C
InChIInChI=1S/C13H27N/c1-6-10-7-8-11(14-5)9-12(10)13(2,3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyPCLHCEQCBJROPK-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-diethyl-N-methylcyclohexan-1-amine
CID 165498630
N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 165497815
N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030105
4-ethyl-3-(furan-2-yl)-N-methylcyclohexan-1-amine
CID 165491970
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine
CID 171100893
1-ethyl-2-(trifluoromethyl)cyclobutane
CID 149336016
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
CID 91593500
(5R)-2-methyl-5-(methylamino)cyclohexan-1-ol
CID 176717328

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine (CID 165498628) is 3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(NC)CC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is PCLHCEQCBJROPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-10-7-8-11(14-5)9-12(10)13(2,3)4/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine?
3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 165498628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).