2-methyl-N'-propan-2-yloct-4-enimidamide

C12H24N2 — CID 123862547

IUPAC2-methyl-N'-propan-2-yloct-4-enimidamide
SMILESCCCC=CCC(C)/C(N)=N/C(C)C
InChIInChI=1S/C12H24N2/c1-5-6-7-8-9-11(4)12(13)14-10(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H2,13,14)
InChIKeyLJAKJVDTBMFHFX-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.13
Rot. Bonds6

About 2-methyl-N'-propan-2-yloct-4-enimidamide

2-methyl-N'-propan-2-yloct-4-enimidamide (PubChem CID 123862547) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-methyl-N'-propan-2-yloct-4-enimidamide.

Molecular Properties

Compound Name2-methyl-N'-propan-2-yloct-4-enimidamide
PubChem CID123862547
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-methyl-N'-propan-2-yloct-4-enimidamide
SMILESCCCC=CCC(C)/C(N)=N/C(C)C
InChIInChI=1S/C12H24N2/c1-5-6-7-8-9-11(4)12(13)14-10(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H2,13,14)
InChIKeyLJAKJVDTBMFHFX-UHFFFAOYSA-N
XLogP3.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.13
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'}

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Related Compounds

2-methyl-N'-[(3S)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-yl]propanimidamide
CID 156149008
N'-[(E)-6-amino-6-methylhept-2-enyl]ethanimidamide
CID 21017911
N'-[(Z)-6-amino-6-methylhept-2-enyl]ethanimidamide
CID 58606443
(2R)-2-[(Z)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59072761
(2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59072786
N'-[(Z)-6-amino-6-methylhept-3-enyl]ethanimidamide
CID 59906751
N'-(6-amino-6-methylhept-2-enyl)ethanimidamide
CID 73733418
N'-(2-methylpent-4-enyl)ethanimidamide
CID 91373134
N'-[(Z)-hex-2-en-3-yl]-2-methylbutanimidamide
CID 132186698
N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide
CID 134368296
(E)-2-methyl-N'-propan-2-ylhex-4-enimidamide
CID 138624852
(E)-3,4-dimethyl-N'-propan-2-ylpent-2-enimidamide
CID 139310002

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-propan-2-yloct-4-enimidamide?
The IUPAC name of 2-methyl-N'-propan-2-yloct-4-enimidamide (CID 123862547) is 2-methyl-N'-propan-2-yloct-4-enimidamide.
What is the SMILES notation for 2-methyl-N'-propan-2-yloct-4-enimidamide?
The canonical SMILES for 2-methyl-N'-propan-2-yloct-4-enimidamide is CCCC=CCC(C)/C(N)=N/C(C)C.
What is the InChIKey of 2-methyl-N'-propan-2-yloct-4-enimidamide?
The InChIKey is LJAKJVDTBMFHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-6-7-8-9-11(4)12(13)14-10(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H2,13,14).
What are the key properties of 2-methyl-N'-propan-2-yloct-4-enimidamide?
2-methyl-N'-propan-2-yloct-4-enimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-propan-2-yloct-4-enimidamide is sourced from PubChem (CID 123862547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).