N,N-bis(but-1-enyl)butan-1-amine

C12H23N — CID 73433209

IUPACN,N-bis(but-1-enyl)butan-1-amine
SMILESCCC=CN(C=CCC)CCCC
InChIInChI=1S/C12H23N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h7-8,10-11H,4-6,9,12H2,1-3H3
InChIKeyZLESNINVZKUMQK-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.94
Rot. Bonds7

About N,N-bis(but-1-enyl)butan-1-amine

N,N-bis(but-1-enyl)butan-1-amine (PubChem CID 73433209) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,N-bis(but-1-enyl)butan-1-amine.

Molecular Properties

Compound NameN,N-bis(but-1-enyl)butan-1-amine
PubChem CID73433209
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,N-bis(but-1-enyl)butan-1-amine
SMILESCCC=CN(C=CCC)CCCC
InChIInChI=1S/C12H23N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h7-8,10-11H,4-6,9,12H2,1-3H3
InChIKeyZLESNINVZKUMQK-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(but-1-enyl)butan-1-amine?
The IUPAC name of N,N-bis(but-1-enyl)butan-1-amine (CID 73433209) is N,N-bis(but-1-enyl)butan-1-amine.
What is the SMILES notation for N,N-bis(but-1-enyl)butan-1-amine?
The canonical SMILES for N,N-bis(but-1-enyl)butan-1-amine is CCC=CN(C=CCC)CCCC.
What is the InChIKey of N,N-bis(but-1-enyl)butan-1-amine?
The InChIKey is ZLESNINVZKUMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h7-8,10-11H,4-6,9,12H2,1-3H3.
What are the key properties of N,N-bis(but-1-enyl)butan-1-amine?
N,N-bis(but-1-enyl)butan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(but-1-enyl)butan-1-amine is sourced from PubChem (CID 73433209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).