(E)-4-butan-2-yliminopent-2-ene-2,3-diamine

C9H19N3 — CID 166864941

IUPAC(E)-4-butan-2-yliminopent-2-ene-2,3-diamine
SMILESCCC(C)/N=C(C)/C(N)=C(/C)N
InChIInChI=1S/C9H19N3/c1-5-6(2)12-8(4)9(11)7(3)10/h6H,5,10-11H2,1-4H3/b9-7+,12-8+
InChIKeyTWNQKCOTOHJQPB-BRVZEXMBSA-N
MW169.27 g/mol
LogP1.39
Rot. Bonds3

About (E)-4-butan-2-yliminopent-2-ene-2,3-diamine

(E)-4-butan-2-yliminopent-2-ene-2,3-diamine (PubChem CID 166864941) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-4-butan-2-yliminopent-2-ene-2,3-diamine.

Molecular Properties

Compound Name(E)-4-butan-2-yliminopent-2-ene-2,3-diamine
PubChem CID166864941
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(E)-4-butan-2-yliminopent-2-ene-2,3-diamine
SMILESCCC(C)/N=C(C)/C(N)=C(/C)N
InChIInChI=1S/C9H19N3/c1-5-6(2)12-8(4)9(11)7(3)10/h6H,5,10-11H2,1-4H3/b9-7+,12-8+
InChIKeyTWNQKCOTOHJQPB-BRVZEXMBSA-N
XLogP1.39
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-fluoro-4-methyliminopent-2-en-2-amine
CID 156792437
(E)-4-methyliminopent-2-ene-2,3-diamine
CID 89091275
(Z)-4-methyl-2-(propan-2-ylideneamino)pent-2-en-3-amine
CID 89494468
2-Methyl-4-pentan-2-yliminopent-2-en-3-amine
CID 123336491
(E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine
CID 126599262
(Z)-4-ethylimino-3-methylpent-2-en-2-amine
CID 132246404
(E)-4-propan-2-yliminopent-2-en-3-amine
CID 134465211
ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine
CID 143056794
(Z)-2,4-dimethyl-5-methyliminohex-3-en-3-amine
CID 143161387
(Z)-3-ethyl-4-methyliminopent-2-en-2-amine
CID 143420792
4-Ethylimino-3-methylpent-2-en-2-amine
CID 148068041
4-Propan-2-yliminopent-2-en-2-amine
CID 149199949

Frequently Asked Questions

What is the IUPAC name of (E)-4-butan-2-yliminopent-2-ene-2,3-diamine?
The IUPAC name of (E)-4-butan-2-yliminopent-2-ene-2,3-diamine (CID 166864941) is (E)-4-butan-2-yliminopent-2-ene-2,3-diamine.
What is the SMILES notation for (E)-4-butan-2-yliminopent-2-ene-2,3-diamine?
The canonical SMILES for (E)-4-butan-2-yliminopent-2-ene-2,3-diamine is CCC(C)/N=C(C)/C(N)=C(/C)N.
What is the InChIKey of (E)-4-butan-2-yliminopent-2-ene-2,3-diamine?
The InChIKey is TWNQKCOTOHJQPB-BRVZEXMBSA-N. The full InChI is InChI=1S/C9H19N3/c1-5-6(2)12-8(4)9(11)7(3)10/h6H,5,10-11H2,1-4H3/b9-7+,12-8+.
What are the key properties of (E)-4-butan-2-yliminopent-2-ene-2,3-diamine?
(E)-4-butan-2-yliminopent-2-ene-2,3-diamine has a molecular weight of 169.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-butan-2-yliminopent-2-ene-2,3-diamine is sourced from PubChem (CID 166864941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).