N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

C14H25N3 — CID 61387145

IUPACN-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)CCc1ccncc1
InChIInChI=1S/C14H25N3/c1-14(2,3)16-10-12-17(4)11-7-13-5-8-15-9-6-13/h5-6,8-9,16H,7,10-12H2,1-4H3
InChIKeyGLECXMYAKHIIIZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP1.94
Rot. Bonds6

About N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (PubChem CID 61387145) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
PubChem CID61387145
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)CCc1ccncc1
InChIInChI=1S/C14H25N3/c1-14(2,3)16-10-12-17(4)11-7-13-5-8-15-9-6-13/h5-6,8-9,16H,7,10-12H2,1-4H3
InChIKeyGLECXMYAKHIIIZ-UHFFFAOYSA-N
XLogP1.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60850476
N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560654
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
2-methyl-2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64826060
2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol
CID 64825661
N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560097
1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 55074145
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
CID 82282650

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (CID 61387145) is N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is CN(CCNC(C)(C)C)CCc1ccncc1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is GLECXMYAKHIIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,3)16-10-12-17(4)11-7-13-5-8-15-9-6-13/h5-6,8-9,16H,7,10-12H2,1-4H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 235.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 61387145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).