N'-(9-propylpentadecan-7-yl)methanediimine

C19H38N2 — CID 151599295

IUPACN'-(9-propylpentadecan-7-yl)methanediimine
SMILESCCCCCCC(CCC)CC(CCCCCC)N=C=N
InChIInChI=1S/C19H38N2/c1-4-7-9-11-14-18(13-6-3)16-19(21-17-20)15-12-10-8-5-2/h18-20H,4-16H2,1-3H3
InChIKeyQKDIXNJUQUOSKH-UHFFFAOYSA-N
MW294.53 g/mol
LogP6.85
Rot. Bonds15

About N'-(9-propylpentadecan-7-yl)methanediimine

N'-(9-propylpentadecan-7-yl)methanediimine (PubChem CID 151599295) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N'-(9-propylpentadecan-7-yl)methanediimine.

Molecular Properties

Compound NameN'-(9-propylpentadecan-7-yl)methanediimine
PubChem CID151599295
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN'-(9-propylpentadecan-7-yl)methanediimine
SMILESCCCCCCC(CCC)CC(CCCCCC)N=C=N
InChIInChI=1S/C19H38N2/c1-4-7-9-11-14-18(13-6-3)16-19(21-17-20)15-12-10-8-5-2/h18-20H,4-16H2,1-3H3
InChIKeyQKDIXNJUQUOSKH-UHFFFAOYSA-N
XLogP6.85
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 56.85
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'}

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Related Compounds

7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423
9-hexyl-7-propylheptadecane
CID 91243882
9-butyl-7-propylheptadecane
CID 91567761
7-butyl-9-propylhexadecane
CID 91502397
6-methyl-8-propylhexadecane
CID 91357269
8-methyl-6-propyltetradecane
CID 90964105
6-methyl-8-propylpentadecane
CID 90954253
8-pentyl-6,10-dipropylpentadecane
CID 58892246
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
6-propyltetracosane
CID 91039357

Frequently Asked Questions

What is the IUPAC name of N'-(9-propylpentadecan-7-yl)methanediimine?
The IUPAC name of N'-(9-propylpentadecan-7-yl)methanediimine (CID 151599295) is N'-(9-propylpentadecan-7-yl)methanediimine.
What is the SMILES notation for N'-(9-propylpentadecan-7-yl)methanediimine?
The canonical SMILES for N'-(9-propylpentadecan-7-yl)methanediimine is CCCCCCC(CCC)CC(CCCCCC)N=C=N.
What is the InChIKey of N'-(9-propylpentadecan-7-yl)methanediimine?
The InChIKey is QKDIXNJUQUOSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-4-7-9-11-14-18(13-6-3)16-19(21-17-20)15-12-10-8-5-2/h18-20H,4-16H2,1-3H3.
What are the key properties of N'-(9-propylpentadecan-7-yl)methanediimine?
N'-(9-propylpentadecan-7-yl)methanediimine has a molecular weight of 294.53 g/mol, XLogP of 6.85, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(9-propylpentadecan-7-yl)methanediimine is sourced from PubChem (CID 151599295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).