N-butyl-N-[(E)-prop-1-enyl]butan-1-amine

C11H23N — CID 57240800

IUPACN-butyl-N-[(E)-prop-1-enyl]butan-1-amine
SMILESC/C=C/N(CCCC)CCCC
InChIInChI=1S/C11H23N/c1-4-7-10-12(9-6-3)11-8-5-2/h6,9H,4-5,7-8,10-11H2,1-3H3/b9-6+
InChIKeyGMNFSKRQARMQLQ-RMKNXTFCSA-N
MW169.31 g/mol
LogP3.42
Rot. Bonds7

About N-butyl-N-[(E)-prop-1-enyl]butan-1-amine

N-butyl-N-[(E)-prop-1-enyl]butan-1-amine (PubChem CID 57240800) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-butyl-N-[(E)-prop-1-enyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(E)-prop-1-enyl]butan-1-amine
PubChem CID57240800
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-butyl-N-[(E)-prop-1-enyl]butan-1-amine
SMILESC/C=C/N(CCCC)CCCC
InChIInChI=1S/C11H23N/c1-4-7-10-12(9-6-3)11-8-5-2/h6,9H,4-5,7-8,10-11H2,1-3H3/b9-6+
InChIKeyGMNFSKRQARMQLQ-RMKNXTFCSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(E)-prop-1-enyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(E)-prop-1-enyl]butan-1-amine (CID 57240800) is N-butyl-N-[(E)-prop-1-enyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(E)-prop-1-enyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(E)-prop-1-enyl]butan-1-amine is C/C=C/N(CCCC)CCCC.
What is the InChIKey of N-butyl-N-[(E)-prop-1-enyl]butan-1-amine?
The InChIKey is GMNFSKRQARMQLQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H23N/c1-4-7-10-12(9-6-3)11-8-5-2/h6,9H,4-5,7-8,10-11H2,1-3H3/b9-6+.
What are the key properties of N-butyl-N-[(E)-prop-1-enyl]butan-1-amine?
N-butyl-N-[(E)-prop-1-enyl]butan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(E)-prop-1-enyl]butan-1-amine is sourced from PubChem (CID 57240800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).