1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine

C10H17N3 — CID 83828096

IUPAC1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine
SMILESCCc1cc(NCC(C)N)ccn1
InChIInChI=1S/C10H17N3/c1-3-9-6-10(4-5-12-9)13-7-8(2)11/h4-6,8H,3,7,11H2,1-2H3,(H,12,13)
InChIKeyVMNFRTPDJFXTJH-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.40
Rot. Bonds4

About 1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine

1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine (PubChem CID 83828096) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine
PubChem CID83828096
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine
SMILESCCc1cc(NCC(C)N)ccn1
InChIInChI=1S/C10H17N3/c1-3-9-6-10(4-5-12-9)13-7-8(2)11/h4-6,8H,3,7,11H2,1-2H3,(H,12,13)
InChIKeyVMNFRTPDJFXTJH-UHFFFAOYSA-N
XLogP1.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine (CID 83828096) is 1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine is CCc1cc(NCC(C)N)ccn1.
What is the InChIKey of 1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine?
The InChIKey is VMNFRTPDJFXTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-9-6-10(4-5-12-9)13-7-8(2)11/h4-6,8H,3,7,11H2,1-2H3,(H,12,13).
What are the key properties of 1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine?
1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 83828096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).