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

C6H14N2 — CID 58834140

IUPAC(2R)-2-N,3-dimethylbut-3-ene-1,2-diamine
SMILESC=C(C)[C@H](CN)NC
InChIInChI=1S/C6H14N2/c1-5(2)6(4-7)8-3/h6,8H,1,4,7H2,2-3H3/t6-/m0/s1
InChIKeyHZUXYUXVZOGPPQ-LURJTMIESA-N
MW114.19 g/mol
LogP0.11
Rot. Bonds3

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

(2R)-2-N,3-dimethylbut-3-ene-1,2-diamine (PubChem CID 58834140) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (2R)-2-N,3-dimethylbut-3-ene-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N,3-dimethylbut-3-ene-1,2-diamine
PubChem CID58834140
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(2R)-2-N,3-dimethylbut-3-ene-1,2-diamine
SMILESC=C(C)[C@H](CN)NC
InChIInChI=1S/C6H14N2/c1-5(2)6(4-7)8-3/h6,8H,1,4,7H2,2-3H3/t6-/m0/s1
InChIKeyHZUXYUXVZOGPPQ-LURJTMIESA-N
XLogP0.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N,3-dimethylbut-3-ene-1,2-diamine?
The IUPAC name of (2R)-2-N,3-dimethylbut-3-ene-1,2-diamine (CID 58834140) is (2R)-2-N,3-dimethylbut-3-ene-1,2-diamine.
What is the SMILES notation for (2R)-2-N,3-dimethylbut-3-ene-1,2-diamine?
The canonical SMILES for (2R)-2-N,3-dimethylbut-3-ene-1,2-diamine is C=C(C)[C@H](CN)NC.
What is the InChIKey of (2R)-2-N,3-dimethylbut-3-ene-1,2-diamine?
The InChIKey is HZUXYUXVZOGPPQ-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2/c1-5(2)6(4-7)8-3/h6,8H,1,4,7H2,2-3H3/t6-/m0/s1.
What are the key properties of (2R)-2-N,3-dimethylbut-3-ene-1,2-diamine?
(2R)-2-N,3-dimethylbut-3-ene-1,2-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N,3-dimethylbut-3-ene-1,2-diamine is sourced from PubChem (CID 58834140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).