N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine

C13H27NO — CID 64760108

IUPACN-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine
SMILESCOCC(C)CNC1CC(C)CCC1C
InChIInChI=1S/C13H27NO/c1-10-5-6-12(3)13(7-10)14-8-11(2)9-15-4/h10-14H,5-9H2,1-4H3
InChIKeyZCQTUTCCHBNFPS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds5

About N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine

N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine (PubChem CID 64760108) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine
PubChem CID64760108
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine
SMILESCOCC(C)CNC1CC(C)CCC1C
InChIInChI=1S/C13H27NO/c1-10-5-6-12(3)13(7-10)14-8-11(2)9-15-4/h10-14H,5-9H2,1-4H3
InChIKeyZCQTUTCCHBNFPS-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxy-2-methylpropyl)-2-methylcyclopentan-1-amine
CID 65045798
2,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102904416
2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid
CID 103245626
3-[(3-methoxy-2-methylpropyl)amino]cyclobutan-1-ol
CID 116501365
2,5-dimethyl-N-(2-methylpropoxy)cyclohexan-1-amine
CID 82709397
N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81334166
N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine
CID 82712267
N-(3-methoxy-2-methylpropyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364526
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
CID 107238325
N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045799
1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane
CID 143819312

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine (CID 64760108) is N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine is COCC(C)CNC1CC(C)CCC1C.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine?
The InChIKey is ZCQTUTCCHBNFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-5-6-12(3)13(7-10)14-8-11(2)9-15-4/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine?
N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64760108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).