N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C16H30N4 — CID 81051177

IUPACN'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1cc(N(CCN(C)C)CC(C)C)c(CN)c(C)n1
InChIInChI=1S/C16H30N4/c1-12(2)11-20(8-7-19(5)6)16-9-13(3)18-14(4)15(16)10-17/h9,12H,7-8,10-11,17H2,1-6H3
InChIKeyJYFYMKBVGBPJEL-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.18
Rot. Bonds7

About N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 81051177) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID81051177
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1cc(N(CCN(C)C)CC(C)C)c(CN)c(C)n1
InChIInChI=1S/C16H30N4/c1-12(2)11-20(8-7-19(5)6)16-9-13(3)18-14(4)15(16)10-17/h9,12H,7-8,10-11,17H2,1-6H3
InChIKeyJYFYMKBVGBPJEL-UHFFFAOYSA-N
XLogP2.18
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 81051177) is N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is Cc1cc(N(CCN(C)C)CC(C)C)c(CN)c(C)n1.
What is the InChIKey of N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is JYFYMKBVGBPJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)11-20(8-7-19(5)6)16-9-13(3)18-14(4)15(16)10-17/h9,12H,7-8,10-11,17H2,1-6H3.
What are the key properties of N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 81051177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).