N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine

C14H27NO — CID 81026190

IUPACN-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1C1CCOCC1
InChIInChI=1S/C14H27NO/c1-11-3-4-13(10-15-2)14(9-11)12-5-7-16-8-6-12/h11-15H,3-10H2,1-2H3
InChIKeyINJWIGBXFRWJIX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.68
Rot. Bonds3

About N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine

N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine (PubChem CID 81026190) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine
PubChem CID81026190
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1C1CCOCC1
InChIInChI=1S/C14H27NO/c1-11-3-4-13(10-15-2)14(9-11)12-5-7-16-8-6-12/h11-15H,3-10H2,1-2H3
InChIKeyINJWIGBXFRWJIX-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81033462
1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025745
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 82935222
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030971
1-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
CID 81031196
N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81029514
1-(2-cyclohexylcyclobutyl)-N-methylmethanamine
CID 81017372
N-methyl-1-[2-(oxan-3-yl)cyclopropyl]methanamine
CID 63740963
N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032057
2-methyl-N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81026173
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 82935826

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine (CID 81026190) is N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine is CNCC1CCC(C)CC1C1CCOCC1.
What is the InChIKey of N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine?
The InChIKey is INJWIGBXFRWJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-3-4-13(10-15-2)14(9-11)12-5-7-16-8-6-12/h11-15H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine?
N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81026190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).