(E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine

C12H21N — CID 15467077

IUPAC(E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine
SMILESC/C=C/CN(C/C=C/C)C/C=C/C
InChIInChI=1S/C12H21N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-9H,10-12H2,1-3H3/b7-4+,8-5+,9-6+
InChIKeyXKOXLTJTIGHINE-OTWDQPKHSA-N
MW179.31 g/mol
LogP3.02
Rot. Bonds6

About (E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine

(E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine (PubChem CID 15467077) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine
PubChem CID15467077
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine
SMILESC/C=C/CN(C/C=C/C)C/C=C/C
InChIInChI=1S/C12H21N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-9H,10-12H2,1-3H3/b7-4+,8-5+,9-6+
InChIKeyXKOXLTJTIGHINE-OTWDQPKHSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diallyldimethylammonium chloride
CID 33286
Triallylamine
CID 7617
N,N-Dimethylallylamine
CID 75082
Diallylmethylamine
CID 75501
2-Propen-1-amine, N,N-diethyl-
CID 79748
2-Butenyldiamine, N,N,N',N'-tetraethyl-
CID 66922
2-Propen-1-aminium, N,N,N-tri-2-propen-1-yl-, chloride (1:1)
CID 11264347
Allyltriethylammonium iodide
CID 20151
2-Propen-1-aminium, N,N,N-triethyl-, bromide (1:1)
CID 122377
(2E)-N1,N1,N4,N4-Tetramethyl-2-butene-1,4-diamine
CID 5365279
2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride (1:1)
CID 83148
2,5-Dihydro-1-methylpyrrole
CID 136355

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine?
The IUPAC name of (E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine (CID 15467077) is (E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine.
What is the SMILES notation for (E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine?
The canonical SMILES for (E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine is C/C=C/CN(C/C=C/C)C/C=C/C.
What is the InChIKey of (E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine?
The InChIKey is XKOXLTJTIGHINE-OTWDQPKHSA-N. The full InChI is InChI=1S/C12H21N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-9H,10-12H2,1-3H3/b7-4+,8-5+,9-6+.
What are the key properties of (E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine?
(E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine is sourced from PubChem (CID 15467077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).