methyl 7-methyl-2-(3-methylhexyl)decanimidate

C19H39NO — CID 126737262

IUPACmethyl 7-methyl-2-(3-methylhexyl)decanimidate
SMILES[H]/N=C(\OC)C(CCCCC(C)CCC)CCC(C)CCC
InChIInChI=1S/C19H39NO/c1-6-10-16(3)12-8-9-13-18(19(20)21-5)15-14-17(4)11-7-2/h16-18,20H,6-15H2,1-5H3/b20-19-
InChIKeyMHNIHWOIUNVCNB-VXPUYCOJSA-N
MW297.53 g/mol
LogP6.44
Rot. Bonds13

About methyl 7-methyl-2-(3-methylhexyl)decanimidate

methyl 7-methyl-2-(3-methylhexyl)decanimidate (PubChem CID 126737262) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is methyl 7-methyl-2-(3-methylhexyl)decanimidate.

Molecular Properties

Compound Namemethyl 7-methyl-2-(3-methylhexyl)decanimidate
PubChem CID126737262
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Namemethyl 7-methyl-2-(3-methylhexyl)decanimidate
SMILES[H]/N=C(\OC)C(CCCCC(C)CCC)CCC(C)CCC
InChIInChI=1S/C19H39NO/c1-6-10-16(3)12-8-9-13-18(19(20)21-5)15-14-17(4)11-7-2/h16-18,20H,6-15H2,1-5H3/b20-19-
InChIKeyMHNIHWOIUNVCNB-VXPUYCOJSA-N
XLogP6.44
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-2-(3-methylhexyl)decanimidate?
The IUPAC name of methyl 7-methyl-2-(3-methylhexyl)decanimidate (CID 126737262) is methyl 7-methyl-2-(3-methylhexyl)decanimidate.
What is the SMILES notation for methyl 7-methyl-2-(3-methylhexyl)decanimidate?
The canonical SMILES for methyl 7-methyl-2-(3-methylhexyl)decanimidate is [H]/N=C(\OC)C(CCCCC(C)CCC)CCC(C)CCC.
What is the InChIKey of methyl 7-methyl-2-(3-methylhexyl)decanimidate?
The InChIKey is MHNIHWOIUNVCNB-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H39NO/c1-6-10-16(3)12-8-9-13-18(19(20)21-5)15-14-17(4)11-7-2/h16-18,20H,6-15H2,1-5H3/b20-19-.
What are the key properties of methyl 7-methyl-2-(3-methylhexyl)decanimidate?
methyl 7-methyl-2-(3-methylhexyl)decanimidate has a molecular weight of 297.53 g/mol, XLogP of 6.44, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-2-(3-methylhexyl)decanimidate is sourced from PubChem (CID 126737262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).