(2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine

C6H13IN2 — CID 90147684

IUPAC(2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine
SMILESCC=C(NI)[C@H](C)NC
InChIInChI=1S/C6H13IN2/c1-4-6(9-7)5(2)8-3/h4-5,8-9H,1-3H3/t5-/m0/s1
InChIKeyGMPWLCRDXXEELD-YFKPBYRVSA-N
MW240.09 g/mol
LogP1.44
Rot. Bonds3

About (2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine

(2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine (PubChem CID 90147684) has the molecular formula C6H13IN2 and a molecular weight of 240.09 g/mol. Its IUPAC name is (2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine.

Molecular Properties

Compound Name(2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine
PubChem CID90147684
Molecular FormulaC6H13IN2
Molecular Weight240.09 g/mol
Exact Mass240.01
IUPAC Name(2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine
SMILESCC=C(NI)[C@H](C)NC
InChIInChI=1S/C6H13IN2/c1-4-6(9-7)5(2)8-3/h4-5,8-9H,1-3H3/t5-/m0/s1
InChIKeyGMPWLCRDXXEELD-YFKPBYRVSA-N
XLogP1.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine?
The IUPAC name of (2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine (CID 90147684) is (2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine.
What is the SMILES notation for (2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine?
The canonical SMILES for (2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine is CC=C(NI)[C@H](C)NC.
What is the InChIKey of (2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine?
The InChIKey is GMPWLCRDXXEELD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13IN2/c1-4-6(9-7)5(2)8-3/h4-5,8-9H,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine?
(2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine has a molecular weight of 240.09 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-N-iodo-2-N-methylpent-3-ene-2,3-diamine is sourced from PubChem (CID 90147684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).