N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine

C17H33NO — CID 81028970

IUPACN-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCNCC1CCC(C(C)C)CC1CC1CCOCC1
InChIInChI=1S/C17H33NO/c1-13(2)15-4-5-16(12-18-3)17(11-15)10-14-6-8-19-9-7-14/h13-18H,4-12H2,1-3H3
InChIKeyOCUNRBNYJNNBTF-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.71
Rot. Bonds5

About N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine

N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81028970) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81028970
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCNCC1CCC(C(C)C)CC1CC1CCOCC1
InChIInChI=1S/C17H33NO/c1-13(2)15-4-5-16(12-18-3)17(11-15)10-14-6-8-19-9-7-14/h13-18H,4-12H2,1-3H3
InChIKeyOCUNRBNYJNNBTF-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-propan-2-yl-2-propylcyclohexyl)methanamine
CID 81028967
N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029843
N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106735621
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
1-[2-(4-methoxybutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 113437285
1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 103020146
2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55219366
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030971
1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine
CID 81028956
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
CID 81031196
2-methyl-N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81026173
2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one
CID 62740751

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine (CID 81028970) is N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine is CNCC1CCC(C(C)C)CC1CC1CCOCC1.
What is the InChIKey of N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is OCUNRBNYJNNBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(2)15-4-5-16(12-18-3)17(11-15)10-14-6-8-19-9-7-14/h13-18H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine?
N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81028970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).