(Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine

C8H17N3 — CID 171626416

IUPAC(Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine
SMILESC/N=C(C)/C(=C(/C)N)C(C)N
InChIInChI=1S/C8H17N3/c1-5(9)8(6(2)10)7(3)11-4/h5H,9-10H2,1-4H3/b8-6-,11-7+
InChIKeyITMGKCLVSHYYMW-FAWHLJIPSA-N
MW155.24 g/mol
LogP0.66
Rot. Bonds2

About (Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine

(Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine (PubChem CID 171626416) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine.

Molecular Properties

Compound Name(Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine
PubChem CID171626416
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine
SMILESC/N=C(C)/C(=C(/C)N)C(C)N
InChIInChI=1S/C8H17N3/c1-5(9)8(6(2)10)7(3)11-4/h5H,9-10H2,1-4H3/b8-6-,11-7+
InChIKeyITMGKCLVSHYYMW-FAWHLJIPSA-N
XLogP0.66
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine?
The IUPAC name of (Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine (CID 171626416) is (Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine.
What is the SMILES notation for (Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine?
The canonical SMILES for (Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine is C/N=C(C)/C(=C(/C)N)C(C)N.
What is the InChIKey of (Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine?
The InChIKey is ITMGKCLVSHYYMW-FAWHLJIPSA-N. The full InChI is InChI=1S/C8H17N3/c1-5(9)8(6(2)10)7(3)11-4/h5H,9-10H2,1-4H3/b8-6-,11-7+.
What are the key properties of (Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine?
(Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine has a molecular weight of 155.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine is sourced from PubChem (CID 171626416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).