(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine

C8H17N3 — CID 171626353

IUPAC(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine
SMILESCC/N=C(C)/C(CN)=C(/C)N
InChIInChI=1S/C8H17N3/c1-4-11-7(3)8(5-9)6(2)10/h4-5,9-10H2,1-3H3/b8-6-,11-7+
InChIKeyUEADJLZSOUUJTE-FAWHLJIPSA-N
MW155.24 g/mol
LogP0.66
Rot. Bonds3

About (Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine

(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine (PubChem CID 171626353) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine
PubChem CID171626353
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine
SMILESCC/N=C(C)/C(CN)=C(/C)N
InChIInChI=1S/C8H17N3/c1-4-11-7(3)8(5-9)6(2)10/h4-5,9-10H2,1-3H3/b8-6-,11-7+
InChIKeyUEADJLZSOUUJTE-FAWHLJIPSA-N
XLogP0.66
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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'}

Analyze (Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 18725311
(Z)-3-methyl-4-methyliminopent-2-en-2-amine
CID 59104563
methyl-[(Z)-3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59932858
Methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59955792
N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 59955793
3-Methyl-4-methyliminopent-2-en-2-amine
CID 72517933
2-Methyl-4-pentan-2-yliminopent-2-en-3-amine
CID 123336491
(Z)-3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 126613749
3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 126613750
(Z)-4-ethylimino-3-methylpent-2-en-2-amine
CID 132246404
(E)-N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 134567670
(Z)-3-ethyl-5-imino-4-methylhex-3-en-2-amine
CID 139382959

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine?
The IUPAC name of (Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine (CID 171626353) is (Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine?
The canonical SMILES for (Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine is CC/N=C(C)/C(CN)=C(/C)N.
What is the InChIKey of (Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine?
The InChIKey is UEADJLZSOUUJTE-FAWHLJIPSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-11-7(3)8(5-9)6(2)10/h4-5,9-10H2,1-3H3/b8-6-,11-7+.
What are the key properties of (Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine?
(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine has a molecular weight of 155.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-ene-1,3-diamine is sourced from PubChem (CID 171626353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).