2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide

C12H22N2 — CID 167223912

IUPAC2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide
SMILESC/C=C\C=C(/N=C(\N)C(C)C)C(C)C
InChIInChI=1S/C12H22N2/c1-6-7-8-11(9(2)3)14-12(13)10(4)5/h6-10H,1-5H3,(H2,13,14)/b7-6-,11-8-
InChIKeyRKCLSWIISOBETG-NJMVCRMVSA-N
MW194.32 g/mol
LogP3.12
Rot. Bonds4

About 2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide

2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide (PubChem CID 167223912) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide
PubChem CID167223912
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide
SMILESC/C=C\C=C(/N=C(\N)C(C)C)C(C)C
InChIInChI=1S/C12H22N2/c1-6-7-8-11(9(2)3)14-12(13)10(4)5/h6-10H,1-5H3,(H2,13,14)/b7-6-,11-8-
InChIKeyRKCLSWIISOBETG-NJMVCRMVSA-N
XLogP3.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.12
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'}

Analyze 2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide (CID 167223912) is 2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide is C/C=C\C=C(/N=C(\N)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide?
The InChIKey is RKCLSWIISOBETG-NJMVCRMVSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-7-8-11(9(2)3)14-12(13)10(4)5/h6-10H,1-5H3,(H2,13,14)/b7-6-,11-8-.
What are the key properties of 2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide?
2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide has a molecular weight of 194.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide is sourced from PubChem (CID 167223912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).