N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine

C11H21N — CID 144522346

IUPACN-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine
SMILESC=C1CC(C)CC(C(C)NC)C1
InChIInChI=1S/C11H21N/c1-8-5-9(2)7-11(6-8)10(3)12-4/h9-12H,1,5-7H2,2-4H3
InChIKeyPYKXPDRYOZOIAQ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds2

About N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine

N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine (PubChem CID 144522346) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine
PubChem CID144522346
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine
SMILESC=C1CC(C)CC(C(C)NC)C1
InChIInChI=1S/C11H21N/c1-8-5-9(2)7-11(6-8)10(3)12-4/h9-12H,1,5-7H2,2-4H3
InChIKeyPYKXPDRYOZOIAQ-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine?
The IUPAC name of N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine (CID 144522346) is N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine?
The canonical SMILES for N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine is C=C1CC(C)CC(C(C)NC)C1.
What is the InChIKey of N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine?
The InChIKey is PYKXPDRYOZOIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8-5-9(2)7-11(6-8)10(3)12-4/h9-12H,1,5-7H2,2-4H3.
What are the key properties of N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine?
N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-5-methylidenecyclohexyl)ethanamine is sourced from PubChem (CID 144522346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).