N-but-3-enyl-N-butylbutan-1-amine

C12H25N — CID 588287

IUPACN-but-3-enyl-N-butylbutan-1-amine
SMILESC=CCCN(CCCC)CCCC
InChIInChI=1S/C12H25N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4H,1,5-12H2,2-3H3
InChIKeyPSZVXJSAVQUQTQ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.46
Rot. Bonds9

About N-but-3-enyl-N-butylbutan-1-amine

N-but-3-enyl-N-butylbutan-1-amine (PubChem CID 588287) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-but-3-enyl-N-butylbutan-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-N-butylbutan-1-amine
PubChem CID588287
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-but-3-enyl-N-butylbutan-1-amine
SMILESC=CCCN(CCCC)CCCC
InChIInChI=1S/C12H25N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4H,1,5-12H2,2-3H3
InChIKeyPSZVXJSAVQUQTQ-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.46
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-butylbutan-1-amine?
The IUPAC name of N-but-3-enyl-N-butylbutan-1-amine (CID 588287) is N-but-3-enyl-N-butylbutan-1-amine.
What is the SMILES notation for N-but-3-enyl-N-butylbutan-1-amine?
The canonical SMILES for N-but-3-enyl-N-butylbutan-1-amine is C=CCCN(CCCC)CCCC.
What is the InChIKey of N-but-3-enyl-N-butylbutan-1-amine?
The InChIKey is PSZVXJSAVQUQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4H,1,5-12H2,2-3H3.
What are the key properties of N-but-3-enyl-N-butylbutan-1-amine?
N-but-3-enyl-N-butylbutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.46, 9 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-butylbutan-1-amine is sourced from PubChem (CID 588287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).