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

C12H21N3 — CID 61449476

IUPAC1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCCN(Cc1ccncc1)CC(C)(C)N
InChIInChI=1S/C12H21N3/c1-4-15(10-12(2,3)13)9-11-5-7-14-8-6-11/h5-8H,4,9-10,13H2,1-3H3
InChIKeyHYDQGLJELJJPQJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.64
Rot. Bonds5

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

1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine (PubChem CID 61449476) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
PubChem CID61449476
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCCN(Cc1ccncc1)CC(C)(C)N
InChIInChI=1S/C12H21N3/c1-4-15(10-12(2,3)13)9-11-5-7-14-8-6-11/h5-8H,4,9-10,13H2,1-3H3
InChIKeyHYDQGLJELJJPQJ-UHFFFAOYSA-N
XLogP1.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-3-methyl-1-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 64677497
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol
CID 114495467
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 54948462
1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
CID 65266664
N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
CID 142257786
N-tert-butyl-N'-ethyl-N'-(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 62430607
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
1-N-ethyl-4-methyl-1-N-(pyridin-4-ylmethyl)pentane-1,2-diamine
CID 54948017
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
2-methyl-1-pyridin-4-ylpropan-2-amine;hydrochloride
CID 141017506
6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 79242738

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine (CID 61449476) is 1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine is CCN(Cc1ccncc1)CC(C)(C)N.
What is the InChIKey of 1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The InChIKey is HYDQGLJELJJPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-15(10-12(2,3)13)9-11-5-7-14-8-6-11/h5-8H,4,9-10,13H2,1-3H3.
What are the key properties of 1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 61449476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).