2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine

C17H36N2 — CID 90844905

IUPAC2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1.CNCCC1CCCCC1
InChIInChI=1S/C9H19N.C8H17N/c1-10-8-7-9-5-3-2-4-6-9;1-7-3-5-8(9-2)6-4-7/h9-10H,2-8H2,1H3;7-9H,3-6H2,1-2H3
InChIKeyYZPCBTBXQBPTHA-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.96
Rot. Bonds4

About 2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine

2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine (PubChem CID 90844905) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine
PubChem CID90844905
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1.CNCCC1CCCCC1
InChIInChI=1S/C9H19N.C8H17N/c1-10-8-7-9-5-3-2-4-6-9;1-7-3-5-8(9-2)6-4-7/h9-10H,2-8H2,1H3;7-9H,3-6H2,1-2H3
InChIKeyYZPCBTBXQBPTHA-UHFFFAOYSA-N
XLogP3.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine (CID 90844905) is 2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine is CNC1CCC(C)CC1.CNCCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine?
The InChIKey is YZPCBTBXQBPTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H17N/c1-10-8-7-9-5-3-2-4-6-9;1-7-3-5-8(9-2)6-4-7/h9-10H,2-8H2,1H3;7-9H,3-6H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine?
2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methylethanamine;N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 90844905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).