N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide

C7H12N2 — CID 88273618

IUPACN'-[(Z)-3-methylidenepent-1-enyl]methanimidamide
SMILESCCC(=C)/C=C\N=CN
InChIInChI=1S/C7H12N2/c1-3-7(2)4-5-9-6-8/h4-6H,2-3H2,1H3,(H2,8,9)/b5-4-
InChIKeyBVLHNMNMWBZMPS-PLNGDYQASA-N
MW124.18 g/mol
LogP1.60
Rot. Bonds3

About N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide

N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide (PubChem CID 88273618) has the molecular formula C7H12N2 and a molecular weight of 124.18 g/mol. Its IUPAC name is N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-3-methylidenepent-1-enyl]methanimidamide
PubChem CID88273618
Molecular FormulaC7H12N2
Molecular Weight124.18 g/mol
Exact Mass124.10
IUPAC NameN'-[(Z)-3-methylidenepent-1-enyl]methanimidamide
SMILESCCC(=C)/C=C\N=CN
InChIInChI=1S/C7H12N2/c1-3-7(2)4-5-9-6-8/h4-6H,2-3H2,1H3,(H2,8,9)/b5-4-
InChIKeyBVLHNMNMWBZMPS-PLNGDYQASA-N
XLogP1.60
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity134

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Guanidino-i-amylen
CID 352810
Guanidino-Isopren
CID 129646409
2-[(E)-3-methylbut-1-enyl]guanidine
CID 5386125
2-[(E)-but-1-enyl]guanidine
CID 19100513
2-But-1-enylguanidine
CID 53992378
2-Pent-1-enylguanidine
CID 54146156
N'-[(1Z)-3-(iodomethyl)buta-1,3-dienyl]methanimidamide
CID 88273444
N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 88931617
(Z,3Z)-3-[(methylideneamino)methylidene]pent-1-en-1-amine
CID 89033888
N'-[(1Z)-2-methylbuta-1,3-dienyl]carbamimidoyl chloride
CID 89140078
N'-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]methanimidamide
CID 89140159
(1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 89142453

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide?
The IUPAC name of N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide (CID 88273618) is N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide?
The canonical SMILES for N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide is CCC(=C)/C=C\N=CN.
What is the InChIKey of N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide?
The InChIKey is BVLHNMNMWBZMPS-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7(2)4-5-9-6-8/h4-6H,2-3H2,1H3,(H2,8,9)/b5-4-.
What are the key properties of N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide?
N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide has a molecular weight of 124.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-methylidenepent-1-enyl]methanimidamide is sourced from PubChem (CID 88273618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).