(Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide

C13H20N2 — CID 137446904

IUPAC(Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide
SMILESC=C(/C=C\N=C(/N)C/C=C\C)/C(C)=C\C
InChIInChI=1S/C13H20N2/c1-5-7-8-13(14)15-10-9-12(4)11(3)6-2/h5-7,9-10H,4,8H2,1-3H3,(H2,14,15)/b7-5-,10-9-,11-6-
InChIKeyNYCSKLULRAFAPC-STNDUVLHSA-N
MW204.32 g/mol
LogP3.35
Rot. Bonds5

About (Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide

(Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide (PubChem CID 137446904) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide.

Molecular Properties

Compound Name(Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide
PubChem CID137446904
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide
SMILESC=C(/C=C\N=C(/N)C/C=C\C)/C(C)=C\C
InChIInChI=1S/C13H20N2/c1-5-7-8-13(14)15-10-9-12(4)11(3)6-2/h5-7,9-10H,4,8H2,1-3H3,(H2,14,15)/b7-5-,10-9-,11-6-
InChIKeyNYCSKLULRAFAPC-STNDUVLHSA-N
XLogP3.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.35
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3H-Azepin-2-amine
CID 12372783
N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide
CID 142149444
N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 142470342
(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
CID 170192926
(2E,3Z,5Z)-2-(1-aminoethylidene)-N'-ethenyl-3-fluoro-5-methylhepta-3,5-dienimidamide
CID 173671358
(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
CID 145143694
(1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine
CID 164589470
4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine
CID 58310005
N'-[(1Z)-3-methylbuta-1,3-dienyl]propanimidamide
CID 89008269
5-ethenyl-3-ethyl-4H-azepin-7-amine
CID 89627152
4,6-diethyl-3H-azepin-2-amine
CID 90084188
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide?
The IUPAC name of (Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide (CID 137446904) is (Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide.
What is the SMILES notation for (Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide?
The canonical SMILES for (Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide is C=C(/C=C\N=C(/N)C/C=C\C)/C(C)=C\C.
What is the InChIKey of (Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide?
The InChIKey is NYCSKLULRAFAPC-STNDUVLHSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-7-8-13(14)15-10-9-12(4)11(3)6-2/h5-7,9-10H,4,8H2,1-3H3,(H2,14,15)/b7-5-,10-9-,11-6-.
What are the key properties of (Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide?
(Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide has a molecular weight of 204.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide is sourced from PubChem (CID 137446904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).