4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine

C13H27NO — CID 115656258

IUPAC4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(NCC(C)(C)OC)CC1
InChIInChI=1S/C13H27NO/c1-5-11-6-8-12(9-7-11)14-10-13(2,3)15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyHFTQLSYZKMSINA-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds5

About 4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine

4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine (PubChem CID 115656258) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
PubChem CID115656258
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(NCC(C)(C)OC)CC1
InChIInChI=1S/C13H27NO/c1-5-11-6-8-12(9-7-11)14-10-13(2,3)15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyHFTQLSYZKMSINA-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 104530318
3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol
CID 81412355
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine
CID 103460646
tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate
CID 107251589
3-[(4-ethylcycloheptyl)amino]-2-methylpropane-1,2-diol
CID 66169877
N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine
CID 103036979
N-ethyl-3-(3-methoxy-3-methylbutyl)cyclopentan-1-amine
CID 103037532
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
N-(2-cyclopentylethyl)-4-ethylcyclohexan-1-amine
CID 63450135
7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
CID 91593500
N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 65088547

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine (CID 115656258) is 4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine is CCC1CCC(NCC(C)(C)OC)CC1.
What is the InChIKey of 4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
The InChIKey is HFTQLSYZKMSINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-11-6-8-12(9-7-11)14-10-13(2,3)15-4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine?
4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 115656258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).