N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine

C12H21N3 — CID 62593206

IUPACN'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine
SMILESCC(C)CNCCN(C)c1ccncc1
InChIInChI=1S/C12H21N3/c1-11(2)10-14-8-9-15(3)12-4-6-13-7-5-12/h4-7,11,14H,8-10H2,1-3H3
InChIKeyKPDAESQMYAQGND-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.76
Rot. Bonds6

About N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine

N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine (PubChem CID 62593206) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine
PubChem CID62593206
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine
SMILESCC(C)CNCCN(C)c1ccncc1
InChIInChI=1S/C12H21N3/c1-11(2)10-14-8-9-15(3)12-4-6-13-7-5-12/h4-7,11,14H,8-10H2,1-3H3
InChIKeyKPDAESQMYAQGND-UHFFFAOYSA-N
XLogP1.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 62593739
N-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 123668191
4-[methyl(pyridin-4-yl)amino]butan-2-ol
CID 115745235
N'-methyl-N-(2-methylpropyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 64585882
N'-(5-bromopyrimidin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 63873230
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 63587139
N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine
CID 106550541
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 114838298
N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591431
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542
N'-methyl-N-(2-methylpropyl)-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
CID 62593915

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine (CID 62593206) is N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine is CC(C)CNCCN(C)c1ccncc1.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine?
The InChIKey is KPDAESQMYAQGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2)10-14-8-9-15(3)12-4-6-13-7-5-12/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine?
N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62593206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).