N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine

C16H28N2O — CID 65253981

IUPACN'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
SMILESCOc1cccc(CN(C)CCCC(C)(C)CN)c1
InChIInChI=1S/C16H28N2O/c1-16(2,13-17)9-6-10-18(3)12-14-7-5-8-15(11-14)19-4/h5,7-8,11H,6,9-10,12-13,17H2,1-4H3
InChIKeyDMYQCWSBAYLRRP-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.89
Rot. Bonds8

About N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine

N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine (PubChem CID 65253981) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
PubChem CID65253981
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
SMILESCOc1cccc(CN(C)CCCC(C)(C)CN)c1
InChIInChI=1S/C16H28N2O/c1-16(2,13-17)9-6-10-18(3)12-14-7-5-8-15(11-14)19-4/h5,7-8,11H,6,9-10,12-13,17H2,1-4H3
InChIKeyDMYQCWSBAYLRRP-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106707877
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738
1-N-[(3-methoxyphenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098188
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539
5-[(3-methoxyphenyl)methyl-methylamino]pentanoic acid
CID 61417598
2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55055981
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
N'-[(3-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62412294

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine?
The IUPAC name of N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine (CID 65253981) is N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine.
What is the SMILES notation for N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine?
The canonical SMILES for N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine is COc1cccc(CN(C)CCCC(C)(C)CN)c1.
What is the InChIKey of N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine?
The InChIKey is DMYQCWSBAYLRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,13-17)9-6-10-18(3)12-14-7-5-8-15(11-14)19-4/h5,7-8,11H,6,9-10,12-13,17H2,1-4H3.
What are the key properties of N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine?
N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine is sourced from PubChem (CID 65253981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).