10-hexyloctadecan-9-imine

C24H49N — CID 170012526

IUPAC10-hexyloctadecan-9-imine
SMILES[H]/N=C(\CCCCCCCC)C(CCCCCC)CCCCCCCC
InChIInChI=1S/C24H49N/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)24(25)22-19-16-14-11-8-5-2/h23,25H,4-22H2,1-3H3/b25-24+
InChIKeyVBFYWQBFNFGZBP-OCOZRVBESA-N
MW351.66 g/mol
LogP9.09
Rot. Bonds20

About 10-hexyloctadecan-9-imine

10-hexyloctadecan-9-imine (PubChem CID 170012526) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is 10-hexyloctadecan-9-imine.

Molecular Properties

Compound Name10-hexyloctadecan-9-imine
PubChem CID170012526
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Name10-hexyloctadecan-9-imine
SMILES[H]/N=C(\CCCCCCCC)C(CCCCCC)CCCCCCCC
InChIInChI=1S/C24H49N/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)24(25)22-19-16-14-11-8-5-2/h23,25H,4-22H2,1-3H3/b25-24+
InChIKeyVBFYWQBFNFGZBP-OCOZRVBESA-N
XLogP9.09
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 59.09
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'}

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Related Compounds

2-butyl-3-iminohexan-1-ol
CID 175271378
11,12,13-tris-decyltricos-11-ene
CID 173081565
3-imino-9-methyldecan-2-amine
CID 123211066
1-fluoro-2-iminooctan-3-ol
CID 88613905
3-pentyltridecane-2,5-dione
CID 54152418
nonacosane-14,15-diol
CID 91509633
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
11,13-diheptyltricosan-12-one
CID 175328104
9,11-dipentylnonadecan-10-one
CID 174915946
2-decyldecanedioic acid
CID 154173290
dodecanoic acid;2-hexyldodecanoic acid
CID 161039741
2-octyltetradecanedioic acid
CID 21327661

Frequently Asked Questions

What is the IUPAC name of 10-hexyloctadecan-9-imine?
The IUPAC name of 10-hexyloctadecan-9-imine (CID 170012526) is 10-hexyloctadecan-9-imine.
What is the SMILES notation for 10-hexyloctadecan-9-imine?
The canonical SMILES for 10-hexyloctadecan-9-imine is [H]/N=C(\CCCCCCCC)C(CCCCCC)CCCCCCCC.
What is the InChIKey of 10-hexyloctadecan-9-imine?
The InChIKey is VBFYWQBFNFGZBP-OCOZRVBESA-N. The full InChI is InChI=1S/C24H49N/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)24(25)22-19-16-14-11-8-5-2/h23,25H,4-22H2,1-3H3/b25-24+.
What are the key properties of 10-hexyloctadecan-9-imine?
10-hexyloctadecan-9-imine has a molecular weight of 351.66 g/mol, XLogP of 9.09, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hexyloctadecan-9-imine is sourced from PubChem (CID 170012526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).