N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C18H31N3 — CID 62546573

IUPACN-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C(CN)N(C)C2CCCN(C)C2)c(C)c1
InChIInChI=1S/C18H31N3/c1-13-9-14(2)18(15(3)10-13)17(11-19)21(5)16-7-6-8-20(4)12-16/h9-10,16-17H,6-8,11-12,19H2,1-5H3
InChIKeyJHTCKGLQQXUDAL-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.64
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 62546573) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID62546573
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C(CN)N(C)C2CCCN(C)C2)c(C)c1
InChIInChI=1S/C18H31N3/c1-13-9-14(2)18(15(3)10-13)17(11-19)21(5)16-7-6-8-20(4)12-16/h9-10,16-17H,6-8,11-12,19H2,1-5H3
InChIKeyJHTCKGLQQXUDAL-UHFFFAOYSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63275722
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739
1-(4-bromothiophen-2-yl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545505
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545332
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 63669450
N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 107397656
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-phenylpentane-1,2-diamine
CID 62546049
1-(2,5-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545345
N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951
1-(2,5-dimethylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-one
CID 62547330
1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62546580
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115559395

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 62546573) is N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(C(CN)N(C)C2CCCN(C)C2)c(C)c1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is JHTCKGLQQXUDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-13-9-14(2)18(15(3)10-13)17(11-19)21(5)16-7-6-8-20(4)12-16/h9-10,16-17H,6-8,11-12,19H2,1-5H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62546573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).