heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide

C20H44N2 — CID 143961640

IUPACheptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide
SMILESC.C/C=C(/CCCCC(C)C)N/C=N/C.CCCCCCC
InChIInChI=1S/C12H24N2.C7H16.CH4/c1-5-12(14-10-13-4)9-7-6-8-11(2)3;1-3-5-7-6-4-2;/h5,10-11H,6-9H2,1-4H3,(H,13,14);3-7H2,1-2H3;1H4/b12-5-;;
InChIKeyZWHFJVRXFJWIDR-KYWGTZADSA-N
MW312.59 g/mol
LogP6.97
Rot. Bonds11

About heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide

heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide (PubChem CID 143961640) has the molecular formula C20H44N2 and a molecular weight of 312.59 g/mol. Its IUPAC name is heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide.

Molecular Properties

Compound Nameheptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide
PubChem CID143961640
Molecular FormulaC20H44N2
Molecular Weight312.59 g/mol
Exact Mass312.35
IUPAC Nameheptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide
SMILESC.C/C=C(/CCCCC(C)C)N/C=N/C.CCCCCCC
InChIInChI=1S/C12H24N2.C7H16.CH4/c1-5-12(14-10-13-4)9-7-6-8-11(2)3;1-3-5-7-6-4-2;/h5,10-11H,6-9H2,1-4H3,(H,13,14);3-7H2,1-2H3;1H4/b12-5-;;
InChIKeyZWHFJVRXFJWIDR-KYWGTZADSA-N
XLogP6.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.59
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-4-[3-methyl-1-(2-methylcyclopropyl)pentyl]-6-propan-2-yl-1,6-dihydropyrimidin-3-ium
CID 91060564
5-methyl-7-(9-methyl-4-methylidenedodec-10-enyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 123598624
N'-[(E)-but-2-en-2-yl]-N-[(Z)-5-methyldec-2-en-2-yl]methanimidamide
CID 123840379
N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide
CID 143961641

Frequently Asked Questions

What is the IUPAC name of heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide?
The IUPAC name of heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide (CID 143961640) is heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide.
What is the SMILES notation for heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide?
The canonical SMILES for heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide is C.C/C=C(/CCCCC(C)C)N/C=N/C.CCCCCCC.
What is the InChIKey of heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide?
The InChIKey is ZWHFJVRXFJWIDR-KYWGTZADSA-N. The full InChI is InChI=1S/C12H24N2.C7H16.CH4/c1-5-12(14-10-13-4)9-7-6-8-11(2)3;1-3-5-7-6-4-2;/h5,10-11H,6-9H2,1-4H3,(H,13,14);3-7H2,1-2H3;1H4/b12-5-;;.
What are the key properties of heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide?
heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide has a molecular weight of 312.59 g/mol, XLogP of 6.97, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;methane;N'-methyl-N-[(Z)-8-methylnon-2-en-3-yl]methanimidamide is sourced from PubChem (CID 143961640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).