2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine

C18H32N2O3 — CID 75871522

IUPAC2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine
SMILESCOc1cc(CNCC(CC(C)C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C18H32N2O3/c1-13(2)8-15(20(3)4)12-19-11-14-9-16(21-5)18(23-7)17(10-14)22-6/h9-10,13,15,19H,8,11-12H2,1-7H3
InChIKeyBGEPMCDXISKMOW-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.78
Rot. Bonds10

About 2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine

2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine (PubChem CID 75871522) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine
PubChem CID75871522
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine
SMILESCOc1cc(CNCC(CC(C)C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C18H32N2O3/c1-13(2)8-15(20(3)4)12-19-11-14-9-16(21-5)18(23-7)17(10-14)22-6/h9-10,13,15,19H,8,11-12H2,1-7H3
InChIKeyBGEPMCDXISKMOW-UHFFFAOYSA-N
XLogP2.78
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine with MolForge

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Related Compounds

(2S)-1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 28730363
1-[2-(dimethylamino)-4-methylpentyl]-3-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377243
3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119766
1-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721294
4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2,6-dimethoxyphenol
CID 107151715
2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine
CID 43094406
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569253
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904164
1-N-[(3-bromo-4-chlorophenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 83236305
2-N,2-N,4-trimethyl-1-N-[(2,4,5-trifluorophenyl)methyl]pentane-1,2-diamine
CID 103792523
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine (CID 75871522) is 2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine is COc1cc(CNCC(CC(C)C)N(C)C)cc(OC)c1OC.
What is the InChIKey of 2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine?
The InChIKey is BGEPMCDXISKMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-13(2)8-15(20(3)4)12-19-11-14-9-16(21-5)18(23-7)17(10-14)22-6/h9-10,13,15,19H,8,11-12H2,1-7H3.
What are the key properties of 2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine?
2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine has a molecular weight of 324.47 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 75871522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).