N-[(E)-but-1-enyl]-N-butylbutan-1-amine

C12H25N — CID 11389777

IUPACN-[(E)-but-1-enyl]-N-butylbutan-1-amine
SMILESCC/C=C/N(CCCC)CCCC
InChIInChI=1S/C12H25N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h7,10H,4-6,8-9,11-12H2,1-3H3/b10-7+
InChIKeyJDDSFDIVGJXIIW-JXMROGBWSA-N
MW183.34 g/mol
LogP3.81
Rot. Bonds8

About N-[(E)-but-1-enyl]-N-butylbutan-1-amine

N-[(E)-but-1-enyl]-N-butylbutan-1-amine (PubChem CID 11389777) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-N-butylbutan-1-amine.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-N-butylbutan-1-amine
PubChem CID11389777
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-[(E)-but-1-enyl]-N-butylbutan-1-amine
SMILESCC/C=C/N(CCCC)CCCC
InChIInChI=1S/C12H25N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h7,10H,4-6,8-9,11-12H2,1-3H3/b10-7+
InChIKeyJDDSFDIVGJXIIW-JXMROGBWSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]-N-butylbutan-1-amine?
The IUPAC name of N-[(E)-but-1-enyl]-N-butylbutan-1-amine (CID 11389777) is N-[(E)-but-1-enyl]-N-butylbutan-1-amine.
What is the SMILES notation for N-[(E)-but-1-enyl]-N-butylbutan-1-amine?
The canonical SMILES for N-[(E)-but-1-enyl]-N-butylbutan-1-amine is CC/C=C/N(CCCC)CCCC.
What is the InChIKey of N-[(E)-but-1-enyl]-N-butylbutan-1-amine?
The InChIKey is JDDSFDIVGJXIIW-JXMROGBWSA-N. The full InChI is InChI=1S/C12H25N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h7,10H,4-6,8-9,11-12H2,1-3H3/b10-7+.
What are the key properties of N-[(E)-but-1-enyl]-N-butylbutan-1-amine?
N-[(E)-but-1-enyl]-N-butylbutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-N-butylbutan-1-amine is sourced from PubChem (CID 11389777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).