N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine

C13H27NO2 — CID 64753219

IUPACN-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCOC(OC)C(C)NC1CC(C)CC(C)C1
InChIInChI=1S/C13H27NO2/c1-9-6-10(2)8-12(7-9)14-11(3)13(15-4)16-5/h9-14H,6-8H2,1-5H3
InChIKeyDAKQBJROIUGAIK-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.41
Rot. Bonds5

About N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine

N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64753219) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine
PubChem CID64753219
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCOC(OC)C(C)NC1CC(C)CC(C)C1
InChIInChI=1S/C13H27NO2/c1-9-6-10(2)8-12(7-9)14-11(3)13(15-4)16-5/h9-14H,6-8H2,1-5H3
InChIKeyDAKQBJROIUGAIK-UHFFFAOYSA-N
XLogP2.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine
CID 115892458
N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine
CID 65080149
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318
N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 64732467
N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine
CID 115755990
methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate
CID 103561043
cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
CID 130223743
trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 96732201
methyl 2-[(3,5-dimethylcyclohexyl)amino]-3-methylpentanoate
CID 64753370
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947
3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 115338788

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine (CID 64753219) is N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine is COC(OC)C(C)NC1CC(C)CC(C)C1.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is DAKQBJROIUGAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-9-6-10(2)8-12(7-9)14-11(3)13(15-4)16-5/h9-14H,6-8H2,1-5H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64753219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).