N-but-3-enyl-N-methylcyclohexanamine

C11H21N — CID 541912

IUPACN-but-3-enyl-N-methylcyclohexanamine
SMILESC=CCCN(C)C1CCCCC1
InChIInChI=1S/C11H21N/c1-3-4-10-12(2)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3
InChIKeyAXOPIZBVDHRVPR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds4

About N-but-3-enyl-N-methylcyclohexanamine

N-but-3-enyl-N-methylcyclohexanamine (PubChem CID 541912) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-but-3-enyl-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-but-3-enyl-N-methylcyclohexanamine
PubChem CID541912
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-but-3-enyl-N-methylcyclohexanamine
SMILESC=CCCN(C)C1CCCCC1
InChIInChI=1S/C11H21N/c1-3-4-10-12(2)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3
InChIKeyAXOPIZBVDHRVPR-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
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-but-3-enyl-N-methylcyclohexanamine?
The IUPAC name of N-but-3-enyl-N-methylcyclohexanamine (CID 541912) is N-but-3-enyl-N-methylcyclohexanamine.
What is the SMILES notation for N-but-3-enyl-N-methylcyclohexanamine?
The canonical SMILES for N-but-3-enyl-N-methylcyclohexanamine is C=CCCN(C)C1CCCCC1.
What is the InChIKey of N-but-3-enyl-N-methylcyclohexanamine?
The InChIKey is AXOPIZBVDHRVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-10-12(2)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3.
What are the key properties of N-but-3-enyl-N-methylcyclohexanamine?
N-but-3-enyl-N-methylcyclohexanamine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-methylcyclohexanamine is sourced from PubChem (CID 541912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).