(E,2E)-2-ethylidenepent-3-ene-1,4-diamine

C7H14N2 — CID 163733302

IUPAC(E,2E)-2-ethylidenepent-3-ene-1,4-diamine
SMILESC/C=C(\C=C(/C)N)CN
InChIInChI=1S/C7H14N2/c1-3-7(5-8)4-6(2)9/h3-4H,5,8-9H2,1-2H3/b6-4+,7-3+
InChIKeyLBMCOOHWECNYGP-DVFLZCIWSA-N
MW126.20 g/mol
LogP0.75
Rot. Bonds2

About (E,2E)-2-ethylidenepent-3-ene-1,4-diamine

(E,2E)-2-ethylidenepent-3-ene-1,4-diamine (PubChem CID 163733302) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E,2E)-2-ethylidenepent-3-ene-1,4-diamine.

Molecular Properties

Compound Name(E,2E)-2-ethylidenepent-3-ene-1,4-diamine
PubChem CID163733302
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E,2E)-2-ethylidenepent-3-ene-1,4-diamine
SMILESC/C=C(\C=C(/C)N)CN
InChIInChI=1S/C7H14N2/c1-3-7(5-8)4-6(2)9/h3-4H,5,8-9H2,1-2H3/b6-4+,7-3+
InChIKeyLBMCOOHWECNYGP-DVFLZCIWSA-N
XLogP0.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.75
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

(E)-2-ethenylbut-2-en-1-amine
CID 142131613
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104
(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine
CID 155051577
2-iminopent-3-ene-1,4-diamine
CID 147865481
ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine
CID 142040698
(Z,3E)-3-ethylidene-N-methoxybut-1-ene-1,4-diamine
CID 142870254
(E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine
CID 144589787
(2E,4E)-4-(hydroperoxymethyl)hepta-2,4-dien-2-amine
CID 163804897
(3Z)-penta-1,3-diene-2,4-diamine;propane
CID 144731148
2,6-diaminohepta-2,5-dien-4-one
CID 74377910
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 169247779

Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-ethylidenepent-3-ene-1,4-diamine?
The IUPAC name of (E,2E)-2-ethylidenepent-3-ene-1,4-diamine (CID 163733302) is (E,2E)-2-ethylidenepent-3-ene-1,4-diamine.
What is the SMILES notation for (E,2E)-2-ethylidenepent-3-ene-1,4-diamine?
The canonical SMILES for (E,2E)-2-ethylidenepent-3-ene-1,4-diamine is C/C=C(\C=C(/C)N)CN.
What is the InChIKey of (E,2E)-2-ethylidenepent-3-ene-1,4-diamine?
The InChIKey is LBMCOOHWECNYGP-DVFLZCIWSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-7(5-8)4-6(2)9/h3-4H,5,8-9H2,1-2H3/b6-4+,7-3+.
What are the key properties of (E,2E)-2-ethylidenepent-3-ene-1,4-diamine?
(E,2E)-2-ethylidenepent-3-ene-1,4-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-ethylidenepent-3-ene-1,4-diamine is sourced from PubChem (CID 163733302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).