(Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine

C7H14N2 — CID 143076732

IUPAC(Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine
SMILESC=C/C(=C\NC)CCN
InChIInChI=1S/C7H14N2/c1-3-7(4-5-8)6-9-2/h3,6,9H,1,4-5,8H2,2H3/b7-6+
InChIKeyOLTHBQIXMWSCOO-VOTSOKGWSA-N
MW126.20 g/mol
LogP0.62
Rot. Bonds4

About (Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine

(Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine (PubChem CID 143076732) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine
PubChem CID143076732
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine
SMILESC=C/C(=C\NC)CCN
InChIInChI=1S/C7H14N2/c1-3-7(4-5-8)6-9-2/h3,6,9H,1,4-5,8H2,2H3/b7-6+
InChIKeyOLTHBQIXMWSCOO-VOTSOKGWSA-N
XLogP0.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-N-ethyl-3-(fluoromethyl)buta-1,3-dien-1-amine
CID 166774744
4-methylidene-2,3-dihydro-1H-pyridine
CID 19068582
5-Ethenyl-1,2,3,4-tetrahydropyridine
CID 21110357
3-methyl-4-methylidene-1H-pyridine
CID 59284149
N-ethyl-3-methylbuta-1,3-dien-1-amine
CID 59957396
N,3-dimethylbuta-1,3-dien-1-amine
CID 59971352
N'-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diamine
CID 87420335
1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine
CID 88569863
(E)-N,N'-dimethylpent-1-ene-1,5-diamine
CID 88792337
(E)-N-methylpent-1-ene-1,5-diamine
CID 89054981
N-methyl-3-methylidenepent-4-en-1-amine
CID 122577615
N-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine
CID 123334114

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine?
The IUPAC name of (Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine (CID 143076732) is (Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine.
What is the SMILES notation for (Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine?
The canonical SMILES for (Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine is C=C/C(=C\NC)CCN.
What is the InChIKey of (Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine?
The InChIKey is OLTHBQIXMWSCOO-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-7(4-5-8)6-9-2/h3,6,9H,1,4-5,8H2,2H3/b7-6+.
What are the key properties of (Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine?
(Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenyl-N-methylbut-1-ene-1,4-diamine is sourced from PubChem (CID 143076732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).