pent-1-ene-2,4-diamine

C5H12N2 — CID 88866231

IUPACpent-1-ene-2,4-diamine
SMILESC=C(N)CC(C)N
InChIInChI=1S/C5H12N2/c1-4(6)3-5(2)7/h5H,1,3,6-7H2,2H3
InChIKeyWYVVJKKJUNTCII-UHFFFAOYSA-N
MW100.17 g/mol
LogP0.20
Rot. Bonds2

About pent-1-ene-2,4-diamine

pent-1-ene-2,4-diamine (PubChem CID 88866231) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is pent-1-ene-2,4-diamine.

Molecular Properties

Compound Namepent-1-ene-2,4-diamine
PubChem CID88866231
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC Namepent-1-ene-2,4-diamine
SMILESC=C(N)CC(C)N
InChIInChI=1S/C5H12N2/c1-4(6)3-5(2)7/h5H,1,3,6-7H2,2H3
InChIKeyWYVVJKKJUNTCII-UHFFFAOYSA-N
XLogP0.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pent-1-ene-2,4-diamine?
The IUPAC name of pent-1-ene-2,4-diamine (CID 88866231) is pent-1-ene-2,4-diamine.
What is the SMILES notation for pent-1-ene-2,4-diamine?
The canonical SMILES for pent-1-ene-2,4-diamine is C=C(N)CC(C)N.
What is the InChIKey of pent-1-ene-2,4-diamine?
The InChIKey is WYVVJKKJUNTCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4(6)3-5(2)7/h5H,1,3,6-7H2,2H3.
What are the key properties of pent-1-ene-2,4-diamine?
pent-1-ene-2,4-diamine has a molecular weight of 100.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-ene-2,4-diamine is sourced from PubChem (CID 88866231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).