[(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium

C9H18N+ — CID 134894159

IUPAC[(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium
SMILESC/C=C/C[N+](C)(C)/C=C/C
InChIInChI=1S/C9H18N/c1-5-7-9-10(3,4)8-6-2/h5-8H,9H2,1-4H3/q+1/b7-5+,8-6+
InChIKeyHWLXWQQRKOXXJF-KQQUZDAGSA-N
MW140.25 g/mol
LogP2.17
Rot. Bonds3

About [(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium

[(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium (PubChem CID 134894159) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is [(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium.

Molecular Properties

Compound Name[(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium
PubChem CID134894159
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Name[(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium
SMILESC/C=C/C[N+](C)(C)/C=C/C
InChIInChI=1S/C9H18N/c1-5-7-9-10(3,4)8-6-2/h5-8H,9H2,1-4H3/q+1/b7-5+,8-6+
InChIKeyHWLXWQQRKOXXJF-KQQUZDAGSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2E)-N1,N1,N4,N4-Tetramethyl-2-butene-1,4-diamine
CID 5365279
Propene-1,3-diamine, N,N,N',N'-tetramethyl-
CID 6444340
Pyridine, 2-(1Z)-1-buten-1-yl-
CID 56972623
N,N,N',N'-Tetramethylbut-2-enylenediamine
CID 66979
2-Buten-1-amine, N,N-diethyl-, (Z)-
CID 5364610
2-Buten-1-amine, N,N-diethyl-, (E)-
CID 5365238
CH3CH=Chn(CH3)2
CID 5463365
Dimethylaminopropylene
CID 521982
N-methyldipropenylamine
CID 12475945
1,4-Bis(dimethylamino)-1,3-butadiene
CID 12484952
(E)-N,N-bis[(E)-but-2-enyl]but-2-en-1-amine
CID 15467077
1,4-bis(N,N-dimethylamino)-1,3-butadiene
CID 53640643

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium?
The IUPAC name of [(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium (CID 134894159) is [(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium.
What is the SMILES notation for [(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium?
The canonical SMILES for [(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium is C/C=C/C[N+](C)(C)/C=C/C.
What is the InChIKey of [(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium?
The InChIKey is HWLXWQQRKOXXJF-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H18N/c1-5-7-9-10(3,4)8-6-2/h5-8H,9H2,1-4H3/q+1/b7-5+,8-6+.
What are the key properties of [(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium?
[(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium has a molecular weight of 140.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]-dimethyl-[(E)-prop-1-enyl]azanium is sourced from PubChem (CID 134894159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).