N-hexadecyl-4-methylpentan-2-imine

C22H45N — CID 102140626

IUPACN-hexadecyl-4-methylpentan-2-imine
SMILESCCCCCCCCCCCCCCCC/N=C(\C)CC(C)C
InChIInChI=1S/C22H45N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22(4)20-21(2)3/h21H,5-20H2,1-4H3/b23-22+
InChIKeyOYQZFTSEYSOCHW-GHVJWSGMSA-N
MW323.61 g/mol
LogP7.97
Rot. Bonds17

About N-hexadecyl-4-methylpentan-2-imine

N-hexadecyl-4-methylpentan-2-imine (PubChem CID 102140626) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is N-hexadecyl-4-methylpentan-2-imine.

Molecular Properties

Compound NameN-hexadecyl-4-methylpentan-2-imine
PubChem CID102140626
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC NameN-hexadecyl-4-methylpentan-2-imine
SMILESCCCCCCCCCCCCCCCC/N=C(\C)CC(C)C
InChIInChI=1S/C22H45N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22(4)20-21(2)3/h21H,5-20H2,1-4H3/b23-22+
InChIKeyOYQZFTSEYSOCHW-GHVJWSGMSA-N
XLogP7.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 57.97
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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Related Compounds

4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
N-(3-ethoxytridecyl)-4-methylpentan-2-imine
CID 151135054
N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine
CID 167613512
2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol
CID 139903999
methyl N-decylethanimidate
CID 51355250
2-nonyl-1-propan-2-ylguanidine
CID 111034727
N-decyl-3-pyrrolidin-1-ylbutan-2-imine
CID 87079405
trihydroxy-(N-nonyl-C-phosphonocarbonimidoyl)phosphanium
CID 91932711
1-isothiocyanatotetracosane
CID 175827875
2-methylhexadecane-4,7-dione
CID 57053022
N,N,2-trimethyl-N'-pentylpropanimidamide
CID 525910
(NE)-N-(3-pentyliminobutan-2-ylidene)hydroxylamine
CID 177494784

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-4-methylpentan-2-imine?
The IUPAC name of N-hexadecyl-4-methylpentan-2-imine (CID 102140626) is N-hexadecyl-4-methylpentan-2-imine.
What is the SMILES notation for N-hexadecyl-4-methylpentan-2-imine?
The canonical SMILES for N-hexadecyl-4-methylpentan-2-imine is CCCCCCCCCCCCCCCC/N=C(\C)CC(C)C.
What is the InChIKey of N-hexadecyl-4-methylpentan-2-imine?
The InChIKey is OYQZFTSEYSOCHW-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H45N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22(4)20-21(2)3/h21H,5-20H2,1-4H3/b23-22+.
What are the key properties of N-hexadecyl-4-methylpentan-2-imine?
N-hexadecyl-4-methylpentan-2-imine has a molecular weight of 323.61 g/mol, XLogP of 7.97, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-4-methylpentan-2-imine is sourced from PubChem (CID 102140626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).