2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine

C13H23N3 — CID 115581231

IUPAC2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNCc1ccccn1
InChIInChI=1S/C13H23N3/c1-4-16(5-2)12(3)10-14-11-13-8-6-7-9-15-13/h6-9,12,14H,4-5,10-11H2,1-3H3
InChIKeyDTFOULKWUHSICX-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.90
Rot. Bonds7

About 2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine

2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine (PubChem CID 115581231) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
PubChem CID115581231
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNCc1ccccn1
InChIInChI=1S/C13H23N3/c1-4-16(5-2)12(3)10-14-11-13-8-6-7-9-15-13/h6-9,12,14H,4-5,10-11H2,1-3H3
InChIKeyDTFOULKWUHSICX-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol
CID 115644639
3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 103614627
N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 55089689
1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine
CID 91282889
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 115584771
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745
N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110301478

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine (CID 115581231) is 2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine is CCN(CC)C(C)CNCc1ccccn1.
What is the InChIKey of 2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
The InChIKey is DTFOULKWUHSICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-16(5-2)12(3)10-14-11-13-8-6-7-9-15-13/h6-9,12,14H,4-5,10-11H2,1-3H3.
What are the key properties of 2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 115581231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).