2-iminopent-3-ene-1,4-diamine

C5H11N3 — CID 147865481

IUPAC2-iminopent-3-ene-1,4-diamine
SMILES[H]/N=C(/C=C(C)N)CN
InChIInChI=1S/C5H11N3/c1-4(7)2-5(8)3-6/h2,8H,3,6-7H2,1H3/b4-2?,8-5-
InChIKeyVRQGZJYMEAVDEB-PADTVCEESA-N
MW113.16 g/mol
LogP-0.17
Rot. Bonds2

About 2-iminopent-3-ene-1,4-diamine

2-iminopent-3-ene-1,4-diamine (PubChem CID 147865481) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-iminopent-3-ene-1,4-diamine.

Molecular Properties

Compound Name2-iminopent-3-ene-1,4-diamine
PubChem CID147865481
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-iminopent-3-ene-1,4-diamine
SMILES[H]/N=C(/C=C(C)N)CN
InChIInChI=1S/C5H11N3/c1-4(7)2-5(8)3-6/h2,8H,3,6-7H2,1H3/b4-2?,8-5-
InChIKeyVRQGZJYMEAVDEB-PADTVCEESA-N
XLogP-0.17
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 177319664
CID 177319664
(Z)-5-amino-3-iminohex-4-enenitrile
CID 55288877
3-aminobut-2-enimidoyl fluoride
CID 149013787
(E)-2-imino-3-methylpent-3-en-1-amine
CID 170222558
(Z)-5,5,5-trifluoro-4-iminopent-2-en-2-amine
CID 138509620
(E,2E)-2-ethylidenepent-3-ene-1,4-diamine
CID 163733302
ethanimidamide;guanidine
CID 160661984
(E)-5,5-difluoro-4-iminohex-2-en-2-amine
CID 126727631
(E)-5-methylhept-4-en-3-imine
CID 123846053
4-imino-1,5-dimethoxypent-2-en-2-amine
CID 57357519
cobalt;ethanimidamide
CID 162055614
2,3-diiminobutan-1-amine
CID 123340860

Frequently Asked Questions

What is the IUPAC name of 2-iminopent-3-ene-1,4-diamine?
The IUPAC name of 2-iminopent-3-ene-1,4-diamine (CID 147865481) is 2-iminopent-3-ene-1,4-diamine.
What is the SMILES notation for 2-iminopent-3-ene-1,4-diamine?
The canonical SMILES for 2-iminopent-3-ene-1,4-diamine is [H]/N=C(/C=C(C)N)CN.
What is the InChIKey of 2-iminopent-3-ene-1,4-diamine?
The InChIKey is VRQGZJYMEAVDEB-PADTVCEESA-N. The full InChI is InChI=1S/C5H11N3/c1-4(7)2-5(8)3-6/h2,8H,3,6-7H2,1H3/b4-2?,8-5-.
What are the key properties of 2-iminopent-3-ene-1,4-diamine?
2-iminopent-3-ene-1,4-diamine has a molecular weight of 113.16 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminopent-3-ene-1,4-diamine is sourced from PubChem (CID 147865481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).