N-butyl-N,4-dimethylpent-3-en-1-amine

C11H23N — CID 89358339

IUPACN-butyl-N,4-dimethylpent-3-en-1-amine
SMILESCCCCN(C)CCC=C(C)C
InChIInChI=1S/C11H23N/c1-5-6-9-12(4)10-7-8-11(2)3/h8H,5-7,9-10H2,1-4H3
InChIKeyDZWLXVKKJRXHAL-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.07
Rot. Bonds6

About N-butyl-N,4-dimethylpent-3-en-1-amine

N-butyl-N,4-dimethylpent-3-en-1-amine (PubChem CID 89358339) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-butyl-N,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound NameN-butyl-N,4-dimethylpent-3-en-1-amine
PubChem CID89358339
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-butyl-N,4-dimethylpent-3-en-1-amine
SMILESCCCCN(C)CCC=C(C)C
InChIInChI=1S/C11H23N/c1-5-6-9-12(4)10-7-8-11(2)3/h8H,5-7,9-10H2,1-4H3
InChIKeyDZWLXVKKJRXHAL-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.07
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-butyl-N,4-dimethylpent-3-en-1-amine?
The IUPAC name of N-butyl-N,4-dimethylpent-3-en-1-amine (CID 89358339) is N-butyl-N,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for N-butyl-N,4-dimethylpent-3-en-1-amine?
The canonical SMILES for N-butyl-N,4-dimethylpent-3-en-1-amine is CCCCN(C)CCC=C(C)C.
What is the InChIKey of N-butyl-N,4-dimethylpent-3-en-1-amine?
The InChIKey is DZWLXVKKJRXHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-6-9-12(4)10-7-8-11(2)3/h8H,5-7,9-10H2,1-4H3.
What are the key properties of N-butyl-N,4-dimethylpent-3-en-1-amine?
N-butyl-N,4-dimethylpent-3-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 89358339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).