2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine

C11H19N3 — CID 61044403

IUPAC2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCC(CNCc1ccncc1)N(C)C
InChIInChI=1S/C11H19N3/c1-10(14(2)3)8-13-9-11-4-6-12-7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChIKeyPZFBFCKMQDRXDY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.12
Rot. Bonds5

About 2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine

2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine (PubChem CID 61044403) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
PubChem CID61044403
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCC(CNCc1ccncc1)N(C)C
InChIInChI=1S/C11H19N3/c1-10(14(2)3)8-13-9-11-4-6-12-7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChIKeyPZFBFCKMQDRXDY-UHFFFAOYSA-N
XLogP1.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
1-N-[(4-tert-butylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913292
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine
CID 60663243
1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104796853
1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115683677
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 156850242

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine (CID 61044403) is 2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine is CC(CNCc1ccncc1)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The InChIKey is PZFBFCKMQDRXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(14(2)3)8-13-9-11-4-6-12-7-5-11/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 61044403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).