N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine

C16H28N2O — CID 61481368

IUPACN'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)CCC(C)(C)C
InChIInChI=1S/C16H28N2O/c1-16(2,3)10-13-18(12-7-11-17)14-8-5-6-9-15(14)19-4/h5-6,8-9H,7,10-13,17H2,1-4H3
InChIKeyUEQVOEYUDKIDAN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.29
Rot. Bonds7

About N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine

N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine (PubChem CID 61481368) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
PubChem CID61481368
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)CCC(C)(C)C
InChIInChI=1S/C16H28N2O/c1-16(2,3)10-13-18(12-7-11-17)14-8-5-6-9-15(14)19-4/h5-6,8-9H,7,10-13,17H2,1-4H3
InChIKeyUEQVOEYUDKIDAN-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol
CID 79359732
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
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N'-(3,3-dimethylbutyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 54958186
2-methoxy-N,N-di(pentadecyl)aniline
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N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
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N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159037
N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262674
N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251851
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CID 28767707
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CID 79160382

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine (CID 61481368) is N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine is COc1ccccc1N(CCCN)CCC(C)(C)C.
What is the InChIKey of N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The InChIKey is UEQVOEYUDKIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,3)10-13-18(12-7-11-17)14-8-5-6-9-15(14)19-4/h5-6,8-9H,7,10-13,17H2,1-4H3.
What are the key properties of N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 61481368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).