(2R)-2-N-methylbut-3-ene-1,2-diamine

C5H12N2 — CID 139310279

IUPAC(2R)-2-N-methylbut-3-ene-1,2-diamine
SMILESC=C[C@H](CN)NC
InChIInChI=1S/C5H12N2/c1-3-5(4-6)7-2/h3,5,7H,1,4,6H2,2H3/t5-/m1/s1
InChIKeyUODYKTAYZUOFBR-RXMQYKEDSA-N
MW100.16 g/mol
LogP-0.28
Rot. Bonds3

About (2R)-2-N-methylbut-3-ene-1,2-diamine

(2R)-2-N-methylbut-3-ene-1,2-diamine (PubChem CID 139310279) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is (2R)-2-N-methylbut-3-ene-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-methylbut-3-ene-1,2-diamine
PubChem CID139310279
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name(2R)-2-N-methylbut-3-ene-1,2-diamine
SMILESC=C[C@H](CN)NC
InChIInChI=1S/C5H12N2/c1-3-5(4-6)7-2/h3,5,7H,1,4,6H2,2H3/t5-/m1/s1
InChIKeyUODYKTAYZUOFBR-RXMQYKEDSA-N
XLogP-0.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methylnon-1-en-3-amine
CID 91313419
N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 105161288
N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 105161117
5-bromo-N-methyloct-1-en-3-amine
CID 123321557
2-N-methylpropane-1,2,3-triamine
CID 22619064
4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal
CID 176958840
N-ethenylhept-1-en-3-amine
CID 142241347
(3E)-3-ethenyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109843
ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109979
N-methylbut-3-en-2-amine;hydrochloride
CID 75525004
propane-1,2-diamine;prop-1-ene
CID 161476573
5-methoxyhex-1-en-3-ylhydrazine
CID 105266950

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-methylbut-3-ene-1,2-diamine?
The IUPAC name of (2R)-2-N-methylbut-3-ene-1,2-diamine (CID 139310279) is (2R)-2-N-methylbut-3-ene-1,2-diamine.
What is the SMILES notation for (2R)-2-N-methylbut-3-ene-1,2-diamine?
The canonical SMILES for (2R)-2-N-methylbut-3-ene-1,2-diamine is C=C[C@H](CN)NC.
What is the InChIKey of (2R)-2-N-methylbut-3-ene-1,2-diamine?
The InChIKey is UODYKTAYZUOFBR-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-5(4-6)7-2/h3,5,7H,1,4,6H2,2H3/t5-/m1/s1.
What are the key properties of (2R)-2-N-methylbut-3-ene-1,2-diamine?
(2R)-2-N-methylbut-3-ene-1,2-diamine has a molecular weight of 100.16 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-methylbut-3-ene-1,2-diamine is sourced from PubChem (CID 139310279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).