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

C12H21N3 — CID 103109745

IUPAC1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1ccccn1
InChIInChI=1S/C12H21N3/c1-4-15(3)10-11(2)14-9-12-7-5-6-8-13-12/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyIXBOFNKEKUNFAM-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.51
Rot. Bonds6

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

1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine (PubChem CID 103109745) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
PubChem CID103109745
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1ccccn1
InChIInChI=1S/C12H21N3/c1-4-15(3)10-11(2)14-9-12-7-5-6-8-13-12/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyIXBOFNKEKUNFAM-UHFFFAOYSA-N
XLogP1.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
2-N-[(2-aminophenyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106703561
1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703560
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 103109827
2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 114269562
N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide
CID 43112506
N-(pyridin-2-ylmethyl)hex-5-en-2-amine
CID 75525482

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine (CID 103109745) is 1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine is CCN(C)CC(C)NCc1ccccn1.
What is the InChIKey of 1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
The InChIKey is IXBOFNKEKUNFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-15(3)10-11(2)14-9-12-7-5-6-8-13-12/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 103109745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).