(Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide

C10H17N3 — CID 144662023

IUPAC(Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide
SMILES[H]/N=C(\C=C/C)N(C)/C(=C/C=C)CN
InChIInChI=1S/C10H17N3/c1-4-6-9(8-11)13(3)10(12)7-5-2/h4-7,12H,1,8,11H2,2-3H3/b7-5-,9-6+,12-10+
InChIKeyPDMBSBFAOGPKQR-BKHONKLNSA-N
MW179.27 g/mol
LogP1.50
Rot. Bonds4

About (Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide

(Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide (PubChem CID 144662023) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide
PubChem CID144662023
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide
SMILES[H]/N=C(\C=C/C)N(C)/C(=C/C=C)CN
InChIInChI=1S/C10H17N3/c1-4-6-9(8-11)13(3)10(12)7-5-2/h4-7,12H,1,8,11H2,2-3H3/b7-5-,9-6+,12-10+
InChIKeyPDMBSBFAOGPKQR-BKHONKLNSA-N
XLogP1.50
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.50
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 1,2-dihydro-2-imino-1,6-dimethyl-
CID 86173652
N-[2-(2-imino-1-pyridyl)ethyl]propan-2-amine
CID 469972
5-Piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123260475
1-Prop-1-en-2-ylpyridin-2-imine
CID 123881417
5-Methylidene-1-propylpyrrol-2-imine
CID 123930038
1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyridin-2-imine
CID 130307955
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine
CID 130307956
1-Methyl-5-methylidenepyrrol-2-imine
CID 134475476
(2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine
CID 137215416
ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine
CID 142132350
1-[4-[(3E)-hexa-1,3,5-trien-3-yl]piperazin-1-yl]butan-1-imine
CID 143517293
(2Z)-N-ethenyl-N-ethylpenta-2,4-dienimidamide;(3Z)-penta-1,3-diene;propane
CID 144257867

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide?
The IUPAC name of (Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide (CID 144662023) is (Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide.
What is the SMILES notation for (Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide?
The canonical SMILES for (Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide is [H]/N=C(\C=C/C)N(C)/C(=C/C=C)CN.
What is the InChIKey of (Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide?
The InChIKey is PDMBSBFAOGPKQR-BKHONKLNSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-6-9(8-11)13(3)10(12)7-5-2/h4-7,12H,1,8,11H2,2-3H3/b7-5-,9-6+,12-10+.
What are the key properties of (Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide?
(Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide has a molecular weight of 179.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide is sourced from PubChem (CID 144662023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).