3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine

C13H23N3 — CID 106287078

IUPAC3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ccncc1C
InChIInChI=1S/C13H23N3/c1-4-11(5-2)12(14)9-16-13-6-7-15-8-10(13)3/h6-8,11-12H,4-5,9,14H2,1-3H3,(H,15,16)
InChIKeyUIIADAPUZKFENP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.57
Rot. Bonds6

About 3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine

3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine (PubChem CID 106287078) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine
PubChem CID106287078
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ccncc1C
InChIInChI=1S/C13H23N3/c1-4-11(5-2)12(14)9-16-13-6-7-15-8-10(13)3/h6-8,11-12H,4-5,9,14H2,1-3H3,(H,15,16)
InChIKeyUIIADAPUZKFENP-UHFFFAOYSA-N
XLogP2.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine (CID 106287078) is 3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine is CCC(CC)C(N)CNc1ccncc1C.
What is the InChIKey of 3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine?
The InChIKey is UIIADAPUZKFENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-11(5-2)12(14)9-16-13-6-7-15-8-10(13)3/h6-8,11-12H,4-5,9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine?
3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine is sourced from PubChem (CID 106287078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).