N-(cyclohex-3-en-1-ylmethyl)butan-1-amine

C11H21N — CID 43180604

IUPACN-(cyclohex-3-en-1-ylmethyl)butan-1-amine
SMILESCCCCNCC1CC=CCC1
InChIInChI=1S/C11H21N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyRBXABJAJYBROMM-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)butan-1-amine

N-(cyclohex-3-en-1-ylmethyl)butan-1-amine (PubChem CID 43180604) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)butan-1-amine
PubChem CID43180604
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)butan-1-amine
SMILESCCCCNCC1CC=CCC1
InChIInChI=1S/C11H21N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyRBXABJAJYBROMM-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)butan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)butan-1-amine (CID 43180604) is N-(cyclohex-3-en-1-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)butan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)butan-1-amine is CCCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)butan-1-amine?
The InChIKey is RBXABJAJYBROMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-5,11-12H,2-3,6-10H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)butan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)butan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)butan-1-amine is sourced from PubChem (CID 43180604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).