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

C13H27NO — CID 103781046

IUPACN-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCOCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C13H27NO/c1-10(2)12-6-5-7-13(8-12)14-11(3)9-15-4/h10-14H,5-9H2,1-4H3
InChIKeySTPOADCXCLLPOJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds5

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

N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 103781046) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID103781046
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCOCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C13H27NO/c1-10(2)12-6-5-7-13(8-12)14-11(3)9-15-4/h10-14H,5-9H2,1-4H3
InChIKeySTPOADCXCLLPOJ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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
2-(Tert-butyl)-N-(3-methoxypropyl)cyclohexan-1-amine
CID 43182312
N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 78871100
2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962115
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
5-methyl-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733273
1-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62405913
1-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 62407711
N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 62534721
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63776665

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine (CID 103781046) is N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine is COCC(C)NC1CCCC(C(C)C)C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is STPOADCXCLLPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)12-6-5-7-13(8-12)14-11(3)9-15-4/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 103781046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).