2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide

C10H19N3 — CID 145259352

IUPAC2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide
SMILESCCC/C=C/N=C(\N)C(N)=C(C)C
InChIInChI=1S/C10H19N3/c1-4-5-6-7-13-10(12)9(11)8(2)3/h6-7H,4-5,11H2,1-3H3,(H2,12,13)/b7-6+
InChIKeyRWQGVBKPOLBEKJ-VOTSOKGWSA-N
MW181.28 g/mol
LogP1.91
Rot. Bonds4

About 2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide

2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide (PubChem CID 145259352) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide.

Molecular Properties

Compound Name2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide
PubChem CID145259352
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide
SMILESCCC/C=C/N=C(\N)C(N)=C(C)C
InChIInChI=1S/C10H19N3/c1-4-5-6-7-13-10(12)9(11)8(2)3/h6-7H,4-5,11H2,1-3H3,(H2,12,13)/b7-6+
InChIKeyRWQGVBKPOLBEKJ-VOTSOKGWSA-N
XLogP1.91
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Hept-5-en-2-ylidene-4-methylpyrazin-2-amine
CID 123804231
3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide
CID 126593370
N'-[(E)-but-1-enyl]-3-methyl-2-(2-methylpropylideneamino)but-2-enimidamide
CID 126599241
2-[ethynyl(methyl)amino]-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide
CID 126599242
(2E,6E)-5,6-dimethyl-4,5-dihydroazocine-7,8-diamine
CID 126599267
N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
CID 134478692
(Z)-2-amino-3-chloro-N'-(2-methylbut-1-enyl)but-2-enimidamide
CID 137507467
2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene
CID 142067318
2-amino-N'-ethenyl-3-methylbut-2-enimidamide
CID 142067319
(Z)-2-amino-3-(ethenylamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide
CID 142470329
ethane;(6E)-3,5,5-trimethyl-2H-azocine-7,8-diamine
CID 143066321
(Z)-2-amino-N'-[(1E)-buta-1,3-dienyl]-3-methylhex-2-enimidamide
CID 144348451

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide?
The IUPAC name of 2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide (CID 145259352) is 2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide.
What is the SMILES notation for 2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide?
The canonical SMILES for 2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide is CCC/C=C/N=C(\N)C(N)=C(C)C.
What is the InChIKey of 2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide?
The InChIKey is RWQGVBKPOLBEKJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-5-6-7-13-10(12)9(11)8(2)3/h6-7H,4-5,11H2,1-3H3,(H2,12,13)/b7-6+.
What are the key properties of 2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide?
2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide has a molecular weight of 181.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide is sourced from PubChem (CID 145259352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).