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

C14H25N3 — CID 64706979

IUPAC2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
SMILESCCNC(C)CC(C)N(C)Cc1ccccn1
InChIInChI=1S/C14H25N3/c1-5-15-12(2)10-13(3)17(4)11-14-8-6-7-9-16-14/h6-9,12-13,15H,5,10-11H2,1-4H3
InChIKeyLWWDDECZACVTIN-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.29
Rot. Bonds7

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

2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine (PubChem CID 64706979) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
PubChem CID64706979
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
SMILESCCNC(C)CC(C)N(C)Cc1ccccn1
InChIInChI=1S/C14H25N3/c1-5-15-12(2)10-13(3)17(4)11-14-8-6-7-9-16-14/h6-9,12-13,15H,5,10-11H2,1-4H3
InChIKeyLWWDDECZACVTIN-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 79408815
1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 55089385
3-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 60914342
N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 60853394
4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
CID 63572365
N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 56790019
1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
CID 62432306
2-N-ethyl-1-N-methyl-1-N-(pyridin-2-ylmethyl)pentane-1,2-diamine
CID 62044465
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 82955986
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine (CID 64706979) is 2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine is CCNC(C)CC(C)N(C)Cc1ccccn1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine?
The InChIKey is LWWDDECZACVTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-15-12(2)10-13(3)17(4)11-14-8-6-7-9-16-14/h6-9,12-13,15H,5,10-11H2,1-4H3.
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine is sourced from PubChem (CID 64706979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).