2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine

C14H27N — CID 139319896

IUPAC2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine
SMILESC=C1CC(C)CC(C(C)NC(C)(C)C)C1
InChIInChI=1S/C14H27N/c1-10-7-11(2)9-13(8-10)12(3)15-14(4,5)6/h11-13,15H,1,7-9H2,2-6H3
InChIKeyLKNILLOZWSHRQN-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds2

About 2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine

2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine (PubChem CID 139319896) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine
PubChem CID139319896
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine
SMILESC=C1CC(C)CC(C(C)NC(C)(C)C)C1
InChIInChI=1S/C14H27N/c1-10-7-11(2)9-13(8-10)12(3)15-14(4,5)6/h11-13,15H,1,7-9H2,2-6H3
InChIKeyLKNILLOZWSHRQN-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
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 2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine (CID 139319896) is 2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine is C=C1CC(C)CC(C(C)NC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine?
The InChIKey is LKNILLOZWSHRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10-7-11(2)9-13(8-10)12(3)15-14(4,5)6/h11-13,15H,1,7-9H2,2-6H3.
What are the key properties of 2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine?
2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]propan-2-amine is sourced from PubChem (CID 139319896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).