N,N'-ditert-butyloctane-1,8-diimine

C16H32N2 — CID 101240395

IUPACN,N'-ditert-butyloctane-1,8-diimine
SMILESCC(C)(C)/N=C/CCCCCC/C=N/C(C)(C)C
InChIInChI=1S/C16H32N2/c1-15(2,3)17-13-11-9-7-8-10-12-14-18-16(4,5)6/h13-14H,7-12H2,1-6H3/b17-13+,18-14+
InChIKeyWPRHYRKAGDXZBN-HBKJEHTGSA-N
MW252.45 g/mol
LogP5.07
Rot. Bonds7

About N,N'-ditert-butyloctane-1,8-diimine

N,N'-ditert-butyloctane-1,8-diimine (PubChem CID 101240395) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,N'-ditert-butyloctane-1,8-diimine.

Molecular Properties

Compound NameN,N'-ditert-butyloctane-1,8-diimine
PubChem CID101240395
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,N'-ditert-butyloctane-1,8-diimine
SMILESCC(C)(C)/N=C/CCCCCC/C=N/C(C)(C)C
InChIInChI=1S/C16H32N2/c1-15(2,3)17-13-11-9-7-8-10-12-14-18-16(4,5)6/h13-14H,7-12H2,1-6H3/b17-13+,18-14+
InChIKeyWPRHYRKAGDXZBN-HBKJEHTGSA-N
XLogP5.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
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

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CID 87184236
N-tert-butyldocosan-1-imine;N-tert-butyl-2-[2-(2-methoxyethoxy)ethoxy]ethanimine;N-tert-butyloctan-1-imine
CID 157235498
N,N'-dimethylheptane-1,7-diimine
CID 159923520
(E)-N-tert-butyldec-2-en-1-imine
CID 10013327
N-[tert-butyl(dimethyl)silyl]oxyhexadecan-1-imine
CID 91751672
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-(12-hydroxyiminododecylidene)hydroxylamine
CID 131876535
N-methyloctadecan-1-imine
CID 54409483
(NE,S)-N-decylidene-2-methylpropane-2-sulfinamide
CID 57331784
(NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide
CID 11265085
(S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide
CID 124645955
(NE)-N-octylidenehydroxylamine
CID 5385260

Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyloctane-1,8-diimine?
The IUPAC name of N,N'-ditert-butyloctane-1,8-diimine (CID 101240395) is N,N'-ditert-butyloctane-1,8-diimine.
What is the SMILES notation for N,N'-ditert-butyloctane-1,8-diimine?
The canonical SMILES for N,N'-ditert-butyloctane-1,8-diimine is CC(C)(C)/N=C/CCCCCC/C=N/C(C)(C)C.
What is the InChIKey of N,N'-ditert-butyloctane-1,8-diimine?
The InChIKey is WPRHYRKAGDXZBN-HBKJEHTGSA-N. The full InChI is InChI=1S/C16H32N2/c1-15(2,3)17-13-11-9-7-8-10-12-14-18-16(4,5)6/h13-14H,7-12H2,1-6H3/b17-13+,18-14+.
What are the key properties of N,N'-ditert-butyloctane-1,8-diimine?
N,N'-ditert-butyloctane-1,8-diimine has a molecular weight of 252.45 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyloctane-1,8-diimine is sourced from PubChem (CID 101240395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).