1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine

C10H18N4 — CID 176528340

IUPAC1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine
SMILES[H]/N=C/C=C(/C)NCC(N)=C/C(C)=N/C
InChIInChI=1S/C10H18N4/c1-8(4-5-11)14-7-10(12)6-9(2)13-3/h4-6,11,14H,7,12H2,1-3H3/b8-4-,10-6?,11-5+,13-9+
InChIKeyFBAKIIWYEPUBKF-XFUZURQWSA-N
MW194.28 g/mol
LogP1.06
Rot. Bonds5

About 1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine

1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine (PubChem CID 176528340) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine
PubChem CID176528340
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine
SMILES[H]/N=C/C=C(/C)NCC(N)=C/C(C)=N/C
InChIInChI=1S/C10H18N4/c1-8(4-5-11)14-7-10(12)6-9(2)13-3/h4-6,11,14H,7,12H2,1-3H3/b8-4-,10-6?,11-5+,13-9+
InChIKeyFBAKIIWYEPUBKF-XFUZURQWSA-N
XLogP1.06
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine?
The IUPAC name of 1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine (CID 176528340) is 1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine.
What is the SMILES notation for 1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine?
The canonical SMILES for 1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine is [H]/N=C/C=C(/C)NCC(N)=C/C(C)=N/C.
What is the InChIKey of 1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine?
The InChIKey is FBAKIIWYEPUBKF-XFUZURQWSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(4-5-11)14-7-10(12)6-9(2)13-3/h4-6,11,14H,7,12H2,1-3H3/b8-4-,10-6?,11-5+,13-9+.
What are the key properties of 1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine?
1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-4-iminobut-2-en-2-yl]-4-methyliminopent-2-ene-1,2-diamine is sourced from PubChem (CID 176528340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).