N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine

C16H30N4 — CID 106906032

IUPACN,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCNCc1cccc(CN(CCN(C)C)CC(C)C)n1
InChIInChI=1S/C16H30N4/c1-14(2)12-20(10-9-19(4)5)13-16-8-6-7-15(18-16)11-17-3/h6-8,14,17H,9-13H2,1-5H3
InChIKeyPJDJMTNSWXUAEG-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.82
Rot. Bonds9

About N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine

N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 106906032) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID106906032
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCNCc1cccc(CN(CCN(C)C)CC(C)C)n1
InChIInChI=1S/C16H30N4/c1-14(2)12-20(10-9-19(4)5)13-16-8-6-7-15(18-16)11-17-3/h6-8,14,17H,9-13H2,1-5H3
InChIKeyPJDJMTNSWXUAEG-UHFFFAOYSA-N
XLogP1.82
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106905733
1-methoxy-N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106906404
N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine
CID 106907286
N,N-dimethyl-N'-[4-(methylaminomethyl)-1,3-oxazol-2-yl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113377670
N'-ethyl-N'-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,N-dimethylpropane-1,3-diamine
CID 106907275
N,N-dimethyl-6-(methylaminomethyl)pyridin-2-amine
CID 62280515
N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 106906849
N'-[(4-hydrazinyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79259446
4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline
CID 106906232
1-[6-(fluoromethyl)-2-pyridinyl]-N-methylmethanamine
CID 84763498
2-methyl-N-[[6-[[methyl(propyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905697
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55009385

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine (CID 106906032) is N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine is CNCc1cccc(CN(CCN(C)C)CC(C)C)n1.
What is the InChIKey of N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is PJDJMTNSWXUAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-14(2)12-20(10-9-19(4)5)13-16-8-6-7-15(18-16)11-17-3/h6-8,14,17H,9-13H2,1-5H3.
What are the key properties of N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 106906032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).