N,N-dibutyl-3-methylbut-2-en-1-amine

C13H27N — CID 15727617

IUPACN,N-dibutyl-3-methylbut-2-en-1-amine
SMILESCCCCN(CC=C(C)C)CCCC
InChIInChI=1S/C13H27N/c1-5-7-10-14(11-8-6-2)12-9-13(3)4/h9H,5-8,10-12H2,1-4H3
InChIKeyUZJBVZMMRWOWFV-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.85
Rot. Bonds8

About N,N-dibutyl-3-methylbut-2-en-1-amine

N,N-dibutyl-3-methylbut-2-en-1-amine (PubChem CID 15727617) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,N-dibutyl-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-3-methylbut-2-en-1-amine
PubChem CID15727617
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,N-dibutyl-3-methylbut-2-en-1-amine
SMILESCCCCN(CC=C(C)C)CCCC
InChIInChI=1S/C13H27N/c1-5-7-10-14(11-8-6-2)12-9-13(3)4/h9H,5-8,10-12H2,1-4H3
InChIKeyUZJBVZMMRWOWFV-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.85
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,N-dibutyl-3-methylbut-2-en-1-amine?
The IUPAC name of N,N-dibutyl-3-methylbut-2-en-1-amine (CID 15727617) is N,N-dibutyl-3-methylbut-2-en-1-amine.
What is the SMILES notation for N,N-dibutyl-3-methylbut-2-en-1-amine?
The canonical SMILES for N,N-dibutyl-3-methylbut-2-en-1-amine is CCCCN(CC=C(C)C)CCCC.
What is the InChIKey of N,N-dibutyl-3-methylbut-2-en-1-amine?
The InChIKey is UZJBVZMMRWOWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-7-10-14(11-8-6-2)12-9-13(3)4/h9H,5-8,10-12H2,1-4H3.
What are the key properties of N,N-dibutyl-3-methylbut-2-en-1-amine?
N,N-dibutyl-3-methylbut-2-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-methylbut-2-en-1-amine is sourced from PubChem (CID 15727617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).