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

C14H27N — CID 130194927

IUPACN-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine
SMILESC=C1CC(C)CC(C(C)NC(C)CC)C1
InChIInChI=1S/C14H27N/c1-6-12(4)15-13(5)14-8-10(2)7-11(3)9-14/h11-15H,2,6-9H2,1,3-5H3
InChIKeyACYPWENJEYRHND-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds4

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

N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine (PubChem CID 130194927) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine
PubChem CID130194927
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine
SMILESC=C1CC(C)CC(C(C)NC(C)CC)C1
InChIInChI=1S/C14H27N/c1-6-12(4)15-13(5)14-8-10(2)7-11(3)9-14/h11-15H,2,6-9H2,1,3-5H3
InChIKeyACYPWENJEYRHND-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine?
The IUPAC name of N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine (CID 130194927) is N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine.
What is the SMILES notation for N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine?
The canonical SMILES for N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine is C=C1CC(C)CC(C(C)NC(C)CC)C1.
What is the InChIKey of N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine?
The InChIKey is ACYPWENJEYRHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-12(4)15-13(5)14-8-10(2)7-11(3)9-14/h11-15H,2,6-9H2,1,3-5H3.
What are the key properties of N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine?
N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine is sourced from PubChem (CID 130194927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).