2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine

C14H25N3 — CID 79812656

IUPAC2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCCC(N)(CC)CN(C)CCc1ccncc1
InChIInChI=1S/C14H25N3/c1-4-14(15,5-2)12-17(3)11-8-13-6-9-16-10-7-13/h6-7,9-10H,4-5,8,11-12,15H2,1-3H3
InChIKeyCJVKEHNMLRVLTO-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.07
Rot. Bonds7

About 2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine

2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine (PubChem CID 79812656) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
PubChem CID79812656
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCCC(N)(CC)CN(C)CCc1ccncc1
InChIInChI=1S/C14H25N3/c1-4-14(15,5-2)12-17(3)11-8-13-6-9-16-10-7-13/h6-7,9-10H,4-5,8,11-12,15H2,1-3H3
InChIKeyCJVKEHNMLRVLTO-UHFFFAOYSA-N
XLogP2.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62258429
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol
CID 64825661
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol
CID 110017059
2-amino-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]hexan-1-ol
CID 64825270
2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile
CID 64726284
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 22688898
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine (CID 79812656) is 2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine is CCC(N)(CC)CN(C)CCc1ccncc1.
What is the InChIKey of 2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The InChIKey is CJVKEHNMLRVLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-14(15,5-2)12-17(3)11-8-13-6-9-16-10-7-13/h6-7,9-10H,4-5,8,11-12,15H2,1-3H3.
What are the key properties of 2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 79812656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).