pent-3-ene-2,2-diamine

C5H12N2 — CID 154022958

IUPACpent-3-ene-2,2-diamine
SMILESCC=CC(C)(N)N
InChIInChI=1S/C5H12N2/c1-3-4-5(2,6)7/h3-4H,6-7H2,1-2H3
InChIKeyUTIVQVIRDWEAHJ-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.20
Rot. Bonds1

About pent-3-ene-2,2-diamine

pent-3-ene-2,2-diamine (PubChem CID 154022958) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is pent-3-ene-2,2-diamine.

Molecular Properties

Compound Namepent-3-ene-2,2-diamine
PubChem CID154022958
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Namepent-3-ene-2,2-diamine
SMILESCC=CC(C)(N)N
InChIInChI=1S/C5H12N2/c1-3-4-5(2,6)7/h3-4H,6-7H2,1-2H3
InChIKeyUTIVQVIRDWEAHJ-UHFFFAOYSA-N
XLogP0.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4,4-dimethylpent-2-ene
CID 159305896
2-amino-2-methylpent-3-enoic acid
CID 85212787
3-ethylhex-4-en-3-amine
CID 174912899
(Z)-hex-4-ene-3,3-diamine
CID 90219122
2,2-dimethylpent-3-enethial
CID 54417783
(Z)-N,N,2-trimethylpent-3-en-2-amine
CID 154549060
(E)-N,N,2-trimethylpent-3-en-2-amine
CID 177230336
1,1-diaminobut-2-ene-1-sulfonic acid
CID 57142921
carbanide;3,3-dimethylbutan-2-amine;rhenium
CID 152810775
(E)-4,4,6,6-tetramethylhept-2-ene
CID 20870209
3,3-dimethylhex-4-en-2-ol
CID 85445269
(E)-3,3-dimethylhex-4-en-2-ol
CID 12835180

Frequently Asked Questions

What is the IUPAC name of pent-3-ene-2,2-diamine?
The IUPAC name of pent-3-ene-2,2-diamine (CID 154022958) is pent-3-ene-2,2-diamine.
What is the SMILES notation for pent-3-ene-2,2-diamine?
The canonical SMILES for pent-3-ene-2,2-diamine is CC=CC(C)(N)N.
What is the InChIKey of pent-3-ene-2,2-diamine?
The InChIKey is UTIVQVIRDWEAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-4-5(2,6)7/h3-4H,6-7H2,1-2H3.
What are the key properties of pent-3-ene-2,2-diamine?
pent-3-ene-2,2-diamine has a molecular weight of 100.16 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-ene-2,2-diamine is sourced from PubChem (CID 154022958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).