2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine

C13H23N3 — CID 62009355

IUPAC2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
SMILESCCN(CCc1ccncc1)C(C)(C)CN
InChIInChI=1S/C13H23N3/c1-4-16(13(2,3)11-14)10-7-12-5-8-15-9-6-12/h5-6,8-9H,4,7,10-11,14H2,1-3H3
InChIKeySVUQTZXCWJONIR-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.68
Rot. Bonds6

About 2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine

2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine (PubChem CID 62009355) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
PubChem CID62009355
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
SMILESCCN(CCc1ccncc1)C(C)(C)CN
InChIInChI=1S/C13H23N3/c1-4-16(13(2,3)11-14)10-7-12-5-8-15-9-6-12/h5-6,8-9H,4,7,10-11,14H2,1-3H3
InChIKeySVUQTZXCWJONIR-UHFFFAOYSA-N
XLogP1.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115
2-[(1-amino-2-methylpropan-2-yl)-ethylamino]ethanol
CID 28759304
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 79812656
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 28759347
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazin-3-amine
CID 62285835
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
1-N-ethyl-3-methyl-1-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 64677497
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
CID 82282650

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine (CID 62009355) is 2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine is CCN(CCc1ccncc1)C(C)(C)CN.
What is the InChIKey of 2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine?
The InChIKey is SVUQTZXCWJONIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-16(13(2,3)11-14)10-7-12-5-8-15-9-6-12/h5-6,8-9H,4,7,10-11,14H2,1-3H3.
What are the key properties of 2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine?
2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 62009355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).