N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine

C19H37N — CID 154964609

IUPACN,3-dibutyl-8-methyl-2-methylidenenonan-1-imine
SMILESC=C(/C=N/CCCC)C(CCCC)CCCCC(C)C
InChIInChI=1S/C19H37N/c1-6-8-13-19(14-11-10-12-17(3)4)18(5)16-20-15-9-7-2/h16-17,19H,5-15H2,1-4H3/b20-16+
InChIKeyPQRPGQXYZXSVRE-CAPFRKAQSA-N
MW279.51 g/mol
LogP6.44
Rot. Bonds13

About N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine

N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine (PubChem CID 154964609) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine.

Molecular Properties

Compound NameN,3-dibutyl-8-methyl-2-methylidenenonan-1-imine
PubChem CID154964609
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN,3-dibutyl-8-methyl-2-methylidenenonan-1-imine
SMILESC=C(/C=N/CCCC)C(CCCC)CCCCC(C)C
InChIInChI=1S/C19H37N/c1-6-8-13-19(14-11-10-12-17(3)4)18(5)16-20-15-9-7-2/h16-17,19H,5-15H2,1-4H3/b20-16+
InChIKeyPQRPGQXYZXSVRE-CAPFRKAQSA-N
XLogP6.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine?
The IUPAC name of N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine (CID 154964609) is N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine.
What is the SMILES notation for N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine?
The canonical SMILES for N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine is C=C(/C=N/CCCC)C(CCCC)CCCCC(C)C.
What is the InChIKey of N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine?
The InChIKey is PQRPGQXYZXSVRE-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H37N/c1-6-8-13-19(14-11-10-12-17(3)4)18(5)16-20-15-9-7-2/h16-17,19H,5-15H2,1-4H3/b20-16+.
What are the key properties of N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine?
N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine has a molecular weight of 279.51 g/mol, XLogP of 6.44, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dibutyl-8-methyl-2-methylidenenonan-1-imine is sourced from PubChem (CID 154964609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).