N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine

C16H28N2O — CID 106708049

IUPACN'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
SMILESCOc1cccc(N(C)CCCCC(C)(C)CN)c1
InChIInChI=1S/C16H28N2O/c1-16(2,13-17)10-5-6-11-18(3)14-8-7-9-15(12-14)19-4/h7-9,12H,5-6,10-11,13,17H2,1-4H3
InChIKeyIPAIBQXDXVNRBT-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.29
Rot. Bonds8

About N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine

N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine (PubChem CID 106708049) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
PubChem CID106708049
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
SMILESCOc1cccc(N(C)CCCCC(C)(C)CN)c1
InChIInChI=1S/C16H28N2O/c1-16(2,13-17)10-5-6-11-18(3)14-8-7-9-15(12-14)19-4/h7-9,12H,5-6,10-11,13,17H2,1-4H3
InChIKeyIPAIBQXDXVNRBT-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
CID 64819164
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253981
4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile
CID 65251156
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
CID 64789526
2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
CID 106803438
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline
CID 62213434
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790325
N-ethyl-3-methoxy-N-methylaniline
CID 67357774

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine (CID 106708049) is N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine is COc1cccc(N(C)CCCCC(C)(C)CN)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine?
The InChIKey is IPAIBQXDXVNRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,13-17)10-5-6-11-18(3)14-8-7-9-15(12-14)19-4/h7-9,12H,5-6,10-11,13,17H2,1-4H3.
What are the key properties of N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine?
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine is sourced from PubChem (CID 106708049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).