6,6-diethyl-2-methyl-2-propyloctan-1-imine

C16H33N — CID 129143015

IUPAC6,6-diethyl-2-methyl-2-propyloctan-1-imine
SMILES[H]/N=C/C(C)(CCC)CCCC(CC)(CC)CC
InChIInChI=1S/C16H33N/c1-6-11-15(5,14-17)12-10-13-16(7-2,8-3)9-4/h14,17H,6-13H2,1-5H3/b17-14+
InChIKeyQCXPNRDQWMCTHW-SAPNQHFASA-N
MW239.45 g/mol
LogP5.83
Rot. Bonds10

About 6,6-diethyl-2-methyl-2-propyloctan-1-imine

6,6-diethyl-2-methyl-2-propyloctan-1-imine (PubChem CID 129143015) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 6,6-diethyl-2-methyl-2-propyloctan-1-imine.

Molecular Properties

Compound Name6,6-diethyl-2-methyl-2-propyloctan-1-imine
PubChem CID129143015
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name6,6-diethyl-2-methyl-2-propyloctan-1-imine
SMILES[H]/N=C/C(C)(CCC)CCCC(CC)(CC)CC
InChIInChI=1S/C16H33N/c1-6-11-15(5,14-17)12-10-13-16(7-2,8-3)9-4/h14,17H,6-13H2,1-5H3/b17-14+
InChIKeyQCXPNRDQWMCTHW-SAPNQHFASA-N
XLogP5.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methanimidoylheptan-4-ol
CID 175013591
4,4-diethyloctane;ethane
CID 177031380
2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine
CID 87649241
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
18,18-diethylicosan-1-amine
CID 87504312
N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine
CID 90840916
4,4,9,9-tetrapropyldodecane
CID 140610407
2-methyl-2-propylpentanal
CID 12587446
3,3-diethylheptane;3,3-diethylhexane;3,3-diethylpentane;3-ethylpentane;methane
CID 158847825
3,3-bis(bromomethyl)pentadecane
CID 79455553
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
7-butyl-7-ethyltetradecane
CID 174665936

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-2-methyl-2-propyloctan-1-imine?
The IUPAC name of 6,6-diethyl-2-methyl-2-propyloctan-1-imine (CID 129143015) is 6,6-diethyl-2-methyl-2-propyloctan-1-imine.
What is the SMILES notation for 6,6-diethyl-2-methyl-2-propyloctan-1-imine?
The canonical SMILES for 6,6-diethyl-2-methyl-2-propyloctan-1-imine is [H]/N=C/C(C)(CCC)CCCC(CC)(CC)CC.
What is the InChIKey of 6,6-diethyl-2-methyl-2-propyloctan-1-imine?
The InChIKey is QCXPNRDQWMCTHW-SAPNQHFASA-N. The full InChI is InChI=1S/C16H33N/c1-6-11-15(5,14-17)12-10-13-16(7-2,8-3)9-4/h14,17H,6-13H2,1-5H3/b17-14+.
What are the key properties of 6,6-diethyl-2-methyl-2-propyloctan-1-imine?
6,6-diethyl-2-methyl-2-propyloctan-1-imine has a molecular weight of 239.45 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-2-methyl-2-propyloctan-1-imine is sourced from PubChem (CID 129143015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).