2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine

C14H25N3 — CID 114269562

IUPAC2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCc1cc(C)cc(C)n1
InChIInChI=1S/C14H25N3/c1-6-17(5)10-13(4)15-9-14-8-11(2)7-12(3)16-14/h7-8,13,15H,6,9-10H2,1-5H3
InChIKeyFKDHUVUUHSMHMC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.13
Rot. Bonds6

About 2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine

2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine (PubChem CID 114269562) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
PubChem CID114269562
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCc1cc(C)cc(C)n1
InChIInChI=1S/C14H25N3/c1-6-17(5)10-13(4)15-9-14-8-11(2)7-12(3)16-14/h7-8,13,15H,6,9-10H2,1-5H3
InChIKeyFKDHUVUUHSMHMC-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine (CID 114269562) is 2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine is CCN(C)CC(C)NCc1cc(C)cc(C)n1.
What is the InChIKey of 2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The InChIKey is FKDHUVUUHSMHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-17(5)10-13(4)15-9-14-8-11(2)7-12(3)16-14/h7-8,13,15H,6,9-10H2,1-5H3.
What are the key properties of 2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine has a molecular weight of 235.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 114269562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).