(Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide

C15H26N4 — CID 176544363

IUPAC(Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide
SMILES[H]/N=C(/C=C(\N)C(C)C)NC/C(C)=N/C(C=C)=C(C)C
InChIInChI=1S/C15H26N4/c1-7-14(11(4)5)19-12(6)9-18-15(17)8-13(16)10(2)3/h7-8,10H,1,9,16H2,2-6H3,(H2,17,18)/b13-8-,19-12+
InChIKeyIASKSRYEPXKSKP-OEUDRACKSA-N
MW262.40 g/mol
LogP2.99
Rot. Bonds6

About (Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide

(Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide (PubChem CID 176544363) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide
PubChem CID176544363
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide
SMILES[H]/N=C(/C=C(\N)C(C)C)NC/C(C)=N/C(C=C)=C(C)C
InChIInChI=1S/C15H26N4/c1-7-14(11(4)5)19-12(6)9-18-15(17)8-13(16)10(2)3/h7-8,10H,1,9,16H2,2-6H3,(H2,17,18)/b13-8-,19-12+
InChIKeyIASKSRYEPXKSKP-OEUDRACKSA-N
XLogP2.99
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine
CID 176949454
[1-oxo-1-(prop-2-enylamino)propan-2-yl] N-(diaminomethylidene)carbamimidothioate
CID 83083193
2,3-diamino-N'-ethanimidoyl-N-ethenyl-N-(2-methylpropyl)but-2-enimidamide
CID 174042244
(Z)-4-amino-1-[3-[[(Z)-2-aminoprop-1-enyl]amino]pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one
CID 145062560
N-(4-iminohex-5-en-2-yl)hydroxylamine
CID 175421103
(4Z)-2-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
CID 138459729
5-methylhexa-1,4-dien-3-imine
CID 130197601
(Z)-3-(2-fluoropropylamino)but-2-enimidamide
CID 146481550
prop-2-enyl N-carbamimidoyl-N'-propan-2-ylcarbamimidothioate;hydrochloride
CID 176518910
2-N,5-dimethylhexane-2,4-diimine
CID 123840762
N-(1-aminoethylidene)-2-(methylamino)ethanimidamide
CID 122487479
N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide
CID 176713937

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide?
The IUPAC name of (Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide (CID 176544363) is (Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide?
The canonical SMILES for (Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide is [H]/N=C(/C=C(\N)C(C)C)NC/C(C)=N/C(C=C)=C(C)C.
What is the InChIKey of (Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide?
The InChIKey is IASKSRYEPXKSKP-OEUDRACKSA-N. The full InChI is InChI=1S/C15H26N4/c1-7-14(11(4)5)19-12(6)9-18-15(17)8-13(16)10(2)3/h7-8,10H,1,9,16H2,2-6H3,(H2,17,18)/b13-8-,19-12+.
What are the key properties of (Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide?
(Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide has a molecular weight of 262.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4-methyl-N-[2-(4-methylpenta-1,3-dien-3-ylimino)propyl]pent-2-enimidamide is sourced from PubChem (CID 176544363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).