2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine

C13H23N3 — CID 134406499

IUPAC2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
SMILESCCNC(C)(C)CNCc1ccc(C)nc1
InChIInChI=1S/C13H23N3/c1-5-16-13(3,4)10-14-8-12-7-6-11(2)15-9-12/h6-7,9,14,16H,5,8,10H2,1-4H3
InChIKeyPJGYPJHGEMRIHU-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.87
Rot. Bonds6

About 2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine

2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine (PubChem CID 134406499) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
PubChem CID134406499
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
SMILESCCNC(C)(C)CNCc1ccc(C)nc1
InChIInChI=1S/C13H23N3/c1-5-16-13(3,4)10-14-8-12-7-6-11(2)15-9-12/h6-7,9,14,16H,5,8,10H2,1-4H3
InChIKeyPJGYPJHGEMRIHU-UHFFFAOYSA-N
XLogP1.87
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
CID 104756449
2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol
CID 104755765
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508
2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine
CID 20601064
2,2-dimethyl-4-[(6-methyl-3-pyridinyl)methylamino]butanenitrile
CID 65247657
N-[(3-ethylthiophen-2-yl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756498
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
CID 55137911
N-[(1-ethylcyclopropyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756472
6-N-ethyl-2-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2,6-diamine
CID 78990492
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62996029
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine (CID 134406499) is 2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine is CCNC(C)(C)CNCc1ccc(C)nc1.
What is the InChIKey of 2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The InChIKey is PJGYPJHGEMRIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-16-13(3,4)10-14-8-12-7-6-11(2)15-9-12/h6-7,9,14,16H,5,8,10H2,1-4H3.
What are the key properties of 2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 134406499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).