N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine

C14H29NO — CID 103781038

IUPACN-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCCOCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C14H29NO/c1-5-16-10-12(4)15-14-8-6-7-13(9-14)11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyXNMPQQAKFJHBDC-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

About N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine

N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 103781038) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID103781038
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCCOCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C14H29NO/c1-5-16-10-12(4)15-14-8-6-7-13(9-14)11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyXNMPQQAKFJHBDC-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Cyclohexylmethyl)(2-methoxyethyl)amine
CID 17158410
N-(2-methoxyethyl)-3,3-dimethylcyclohexan-1-amine
CID 64468633
N-(2-morpholin-4-ylethyl)-2-propan-2-ylcyclohexan-1-amine
CID 75433468
N-(2-ethoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101589
N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine
CID 170209834
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962010
2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962115
4-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 55032057
3,3,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60732879
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733031
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733032
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733195

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine (CID 103781038) is N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine is CCOCC(C)NC1CCCC(C(C)C)C1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is XNMPQQAKFJHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-16-10-12(4)15-14-8-6-7-13(9-14)11(2)3/h11-15H,5-10H2,1-4H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 103781038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).