2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide

C12H22N2 — CID 167001296

IUPAC2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide
SMILESCCC/C=C(C)/C=C\N=C(/N)C(C)C
InChIInChI=1S/C12H22N2/c1-5-6-7-11(4)8-9-14-12(13)10(2)3/h7-10H,5-6H2,1-4H3,(H2,13,14)/b9-8-,11-7+
InChIKeyISRLNRJGECGHES-NVKZJLNYSA-N
MW194.32 g/mol
LogP3.26
Rot. Bonds5

About 2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide

2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide (PubChem CID 167001296) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide
PubChem CID167001296
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide
SMILESCCC/C=C(C)/C=C\N=C(/N)C(C)C
InChIInChI=1S/C12H22N2/c1-5-6-7-11(4)8-9-14-12(13)10(2)3/h7-10H,5-6H2,1-4H3,(H2,13,14)/b9-8-,11-7+
InChIKeyISRLNRJGECGHES-NVKZJLNYSA-N
XLogP3.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.26
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-6-fluoro-5-methyl-3H-azepin-2-amine
CID 126755990
N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide
CID 142149444
(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
CID 170192926
(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
4,6-diethyl-3H-azepin-2-amine
CID 90084188
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
(Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide
CID 91013982
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600
4-ethyl-3H-azepin-2-amine
CID 118297635

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide (CID 167001296) is 2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide is CCC/C=C(C)/C=C\N=C(/N)C(C)C.
What is the InChIKey of 2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide?
The InChIKey is ISRLNRJGECGHES-NVKZJLNYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-6-7-11(4)8-9-14-12(13)10(2)3/h7-10H,5-6H2,1-4H3,(H2,13,14)/b9-8-,11-7+.
What are the key properties of 2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide?
2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide has a molecular weight of 194.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide is sourced from PubChem (CID 167001296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).