N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine

C17H30N2O3 — CID 60590203

IUPACN,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
SMILESCOc1cc(OC)c(OC)cc1CNCC(C)(C)CN(C)C
InChIInChI=1S/C17H30N2O3/c1-17(2,12-19(3)4)11-18-10-13-8-15(21-6)16(22-7)9-14(13)20-5/h8-9,18H,10-12H2,1-7H3
InChIKeyVUTLRKIXBGMHCJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.39
Rot. Bonds9

About N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine (PubChem CID 60590203) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
PubChem CID60590203
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
SMILESCOc1cc(OC)c(OC)cc1CNCC(C)(C)CN(C)C
InChIInChI=1S/C17H30N2O3/c1-17(2,12-19(3)4)11-18-10-13-8-15(21-6)16(22-7)9-14(13)20-5/h8-9,18H,10-12H2,1-7H3
InChIKeyVUTLRKIXBGMHCJ-UHFFFAOYSA-N
XLogP2.39
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]-6-methoxyphenol
CID 104646031
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43090366
N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 60590100
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204410
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43220886
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 82719803
methyl 2-[2-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]phenyl]acetate
CID 115461412
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 63991759
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine (CID 60590203) is N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine is COc1cc(OC)c(OC)cc1CNCC(C)(C)CN(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine?
The InChIKey is VUTLRKIXBGMHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,12-19(3)4)11-18-10-13-8-15(21-6)16(22-7)9-14(13)20-5/h8-9,18H,10-12H2,1-7H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine has a molecular weight of 310.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 60590203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).