2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide

C12H22N2 — CID 167293374

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

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

2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide (PubChem CID 167293374) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide
PubChem CID167293374
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide
SMILESC/C=C\C(=C/N=C(/N)C(C)C)C(C)C
InChIInChI=1S/C12H22N2/c1-6-7-11(9(2)3)8-14-12(13)10(4)5/h6-10H,1-5H3,(H2,13,14)/b7-6-,11-8+
InChIKeyIHDDMXVZRWQBBW-BQGCWICQSA-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'}

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Related Compounds

3-ethyl-5-methyl-6-(trifluoromethyl)-3H-azepin-2-amine
CID 126755985
3-ethyl-6-fluoro-5-methyl-3H-azepin-2-amine
CID 126755990
(4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine
CID 167098863
(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
CID 170192926
4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine
CID 58310005
4,6-diethyl-3H-azepin-2-amine
CID 90084188
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600
3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine
CID 118946201
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
CID 123664022
2-methyl-N'-[(1Z)-2-methylbuta-1,3-dienyl]butanimidamide
CID 123779823
(Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide
CID 126593027
(2E,6E)-7-[(Z)-but-1-enyl]-5-methyl-4,5-dihydroazocine-6,8-diamine
CID 126593384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide (CID 167293374) is 2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide is C/C=C\C(=C/N=C(/N)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide?
The InChIKey is IHDDMXVZRWQBBW-BQGCWICQSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-7-11(9(2)3)8-14-12(13)10(4)5/h6-10H,1-5H3,(H2,13,14)/b7-6-,11-8+.
What are the key properties of 2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide?
2-methyl-N'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]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'-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]propanimidamide is sourced from PubChem (CID 167293374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).