N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline

C17H29NO2 — CID 28531809

IUPACN-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline
SMILESCOc1cc(NC(CC(C)C)CC(C)C)cc(OC)c1
InChIInChI=1S/C17H29NO2/c1-12(2)7-14(8-13(3)4)18-15-9-16(19-5)11-17(10-15)20-6/h9-14,18H,7-8H2,1-6H3
InChIKeyRKPSOGDYLHHTMI-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.58
Rot. Bonds8

About N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline

N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline (PubChem CID 28531809) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline
PubChem CID28531809
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline
SMILESCOc1cc(NC(CC(C)C)CC(C)C)cc(OC)c1
InChIInChI=1S/C17H29NO2/c1-12(2)7-14(8-13(3)4)18-15-9-16(19-5)11-17(10-15)20-6/h9-14,18H,7-8H2,1-6H3
InChIKeyRKPSOGDYLHHTMI-UHFFFAOYSA-N
XLogP4.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-methoxy-5-nitrophenyl)-4-methylpentane-1,2-diamine
CID 80744282
N-(2,6-dimethylheptan-4-yl)-3,4-dimethoxyaniline
CID 29054156
2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61245963
N-(1-cyclopentylethyl)-3,5-dimethoxyaniline
CID 62632607
methyl 2-(3-amino-5-methoxyanilino)-4-methylpentanoate
CID 80740245
3-(3,5-dimethoxyanilino)butanoic acid
CID 43536666
methyl 3-(3,5-dimethoxyanilino)butanoate
CID 43536667
(2S)-2-(3,5-dimethoxyanilino)propanoic acid
CID 54357232
3-bromo-5-methoxy-N-(3-methyl-1-phenylbutyl)aniline
CID 82860561
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide
CID 63754722
(4R)-4-(4-methoxyanilino)-6-methylheptan-2-one
CID 11425205
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline
CID 43106299

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline?
The IUPAC name of N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline (CID 28531809) is N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline?
The canonical SMILES for N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline is COc1cc(NC(CC(C)C)CC(C)C)cc(OC)c1.
What is the InChIKey of N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline?
The InChIKey is RKPSOGDYLHHTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12(2)7-14(8-13(3)4)18-15-9-16(19-5)11-17(10-15)20-6/h9-14,18H,7-8H2,1-6H3.
What are the key properties of N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline?
N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline has a molecular weight of 279.42 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yl)-3,5-dimethoxyaniline is sourced from PubChem (CID 28531809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).