(2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane

C15H31N3 — CID 170791131

IUPAC(2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane
SMILESC=C(/C=C\C(=N\C)NCCC)NCCCC.CC
InChIInChI=1S/C13H25N3.C2H6/c1-5-7-11-15-12(3)8-9-13(14-4)16-10-6-2;1-2/h8-9,15H,3,5-7,10-11H2,1-2,4H3,(H,14,16);1-2H3/b9-8-;
InChIKeyIAJMTINYEYZWKU-UOQXYWCXSA-N
MW253.43 g/mol
LogP3.50
Rot. Bonds8

About (2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane

(2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane (PubChem CID 170791131) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is (2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane.

Molecular Properties

Compound Name(2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane
PubChem CID170791131
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name(2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane
SMILESC=C(/C=C\C(=N\C)NCCC)NCCCC.CC
InChIInChI=1S/C13H25N3.C2H6/c1-5-7-11-15-12(3)8-9-13(14-4)16-10-6-2;1-2/h8-9,15H,3,5-7,10-11H2,1-2,4H3,(H,14,16);1-2H3/b9-8-;
InChIKeyIAJMTINYEYZWKU-UOQXYWCXSA-N
XLogP3.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide
CID 126707495
(5Z,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 68220253
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
9-Methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine
CID 90836516
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
CID 123199380
N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
CID 123236031
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
CID 123452172
(7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 123778633
N-[2-(butylamino)ethyl]-N'-methylbut-2-enimidamide
CID 123895418
N'-methyl-N-propylbut-2-enimidamide
CID 124019163
(E)-N'-ethyl-N-prop-1-en-2-ylbut-2-enimidamide
CID 124182032

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane?
The IUPAC name of (2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane (CID 170791131) is (2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane.
What is the SMILES notation for (2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane?
The canonical SMILES for (2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane is C=C(/C=C\C(=N\C)NCCC)NCCCC.CC.
What is the InChIKey of (2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane?
The InChIKey is IAJMTINYEYZWKU-UOQXYWCXSA-N. The full InChI is InChI=1S/C13H25N3.C2H6/c1-5-7-11-15-12(3)8-9-13(14-4)16-10-6-2;1-2/h8-9,15H,3,5-7,10-11H2,1-2,4H3,(H,14,16);1-2H3/b9-8-;.
What are the key properties of (2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane?
(2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane has a molecular weight of 253.43 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-(butylamino)-N'-methyl-N-propylpenta-2,4-dienimidamide;ethane is sourced from PubChem (CID 170791131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).