N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide

C10H17N3 — CID 118973277

IUPACN-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C=C)/C(C)=C/N(C)CC
InChIInChI=1S/C10H17N3/c1-5-10(12-8-11)9(3)7-13(4)6-2/h5,7-8,11H,1,6H2,2-4H3/b9-7+,11-8+,12-10+
InChIKeyGKAVWZKNVHCFNW-HVHNYWLFSA-N
MW179.27 g/mol
LogP2.08
Rot. Bonds5

About N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide

N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide (PubChem CID 118973277) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide
PubChem CID118973277
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C=C)/C(C)=C/N(C)CC
InChIInChI=1S/C10H17N3/c1-5-10(12-8-11)9(3)7-13(4)6-2/h5,7-8,11H,1,6H2,2-4H3/b9-7+,11-8+,12-10+
InChIKeyGKAVWZKNVHCFNW-HVHNYWLFSA-N
XLogP2.08
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide 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

N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide
CID 90452898
N-[(1E)-1-amino-2-methylpenta-1,4-dien-3-ylidene]methanimidamide
CID 90453946
(1E)-1-N-ethylidene-2-methylpenta-1,4-diene-1,3-diimine
CID 124185235
N-[(4E)-4-[(4-methylpiperazin-1-yl)methylidene]hexa-1,5-dien-3-ylidene]methanimidamide
CID 143058870
[(1E)-3-dimethylazaniumylidene-4-methylpenta-1,4-dienyl]-ethyl-methylideneazanium
CID 169835683
(E)-but-2-ene;ethane;N-(3-methylidenepent-4-en-2-ylidene)methanimidamide
CID 171629330

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide?
The IUPAC name of N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide (CID 118973277) is N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide.
What is the SMILES notation for N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide?
The canonical SMILES for N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide is [H]/N=C/N=C(C=C)/C(C)=C/N(C)CC.
What is the InChIKey of N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide?
The InChIKey is GKAVWZKNVHCFNW-HVHNYWLFSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-10(12-8-11)9(3)7-13(4)6-2/h5,7-8,11H,1,6H2,2-4H3/b9-7+,11-8+,12-10+.
What are the key properties of N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide?
N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide has a molecular weight of 179.27 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-[ethyl(methyl)amino]-2-methylpenta-1,4-dien-3-ylidene]methanimidamide is sourced from PubChem (CID 118973277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).