1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine

C17H30N2O — CID 62624272

IUPAC1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine
SMILESCNC(CCN(C)Cc1cccc(OC)c1)C(C)(C)C
InChIInChI=1S/C17H30N2O/c1-17(2,3)16(18-4)10-11-19(5)13-14-8-7-9-15(12-14)20-6/h7-9,12,16,18H,10-11,13H2,1-6H3
InChIKeyUYNBUDAXWHLCDD-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.15
Rot. Bonds7

About 1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine

1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine (PubChem CID 62624272) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine
PubChem CID62624272
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine
SMILESCNC(CCN(C)Cc1cccc(OC)c1)C(C)(C)C
InChIInChI=1S/C17H30N2O/c1-17(2,3)16(18-4)10-11-19(5)13-14-8-7-9-15(12-14)20-6/h7-9,12,16,18H,10-11,13H2,1-6H3
InChIKeyUYNBUDAXWHLCDD-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(3-methoxyphenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098188
1-(3-methoxyphenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 79054097
1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine
CID 62042937
methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620273
N'-[(3-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62412294
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539
N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253981
2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 63073004
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine?
The IUPAC name of 1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine (CID 62624272) is 1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine is CNC(CCN(C)Cc1cccc(OC)c1)C(C)(C)C.
What is the InChIKey of 1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine?
The InChIKey is UYNBUDAXWHLCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-17(2,3)16(18-4)10-11-19(5)13-14-8-7-9-15(12-14)20-6/h7-9,12,16,18H,10-11,13H2,1-6H3.
What are the key properties of 1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine?
1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine is sourced from PubChem (CID 62624272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).