N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine

C12H25NO — CID 63995058

IUPACN-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine
SMILESCOCC(C)NC1CCC(C)CC1C
InChIInChI=1S/C12H25NO/c1-9-5-6-12(10(2)7-9)13-11(3)8-14-4/h9-13H,5-8H2,1-4H3
InChIKeyHFHRDLXJCHOGCY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine

N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine (PubChem CID 63995058) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine
PubChem CID63995058
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine
SMILESCOCC(C)NC1CCC(C)CC1C
InChIInChI=1S/C12H25NO/c1-9-5-6-12(10(2)7-9)13-11(3)8-14-4/h9-13H,5-8H2,1-4H3
InChIKeyHFHRDLXJCHOGCY-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Cyclohexylmethyl)(2-methoxyethyl)amine
CID 17158410
2-[(4-Methylcyclohexyl)amino]ethanol
CID 277584
N-(2-methoxyethyl)-3,3-dimethylcyclohexan-1-amine
CID 64468633
2-Adamantyl(2-methoxy-1-methylethyl)amine
CID 3715788
N-(2-butoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101588
N-(2-ethoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101589
3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine
CID 170061681
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733194
N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 60766186
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61492202
N-(1-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62534895
N-(1-methoxypropan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 62535083

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine (CID 63995058) is N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine is COCC(C)NC1CCC(C)CC1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine?
The InChIKey is HFHRDLXJCHOGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-5-6-12(10(2)7-9)13-11(3)8-14-4/h9-13H,5-8H2,1-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine?
N-(1-methoxypropan-2-yl)-2,4-dimethylcyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 4 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)-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63995058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).