2-N,2-N,2-trimethylpent-4-ene-2,3-diamine

C8H18N2 — CID 79053688

IUPAC2-N,2-N,2-trimethylpent-4-ene-2,3-diamine
SMILESC=CC(N)C(C)(C)N(C)C
InChIInChI=1S/C8H18N2/c1-6-7(9)8(2,3)10(4)5/h6-7H,1,9H2,2-5H3
InChIKeyLRZROOQHGUMOIJ-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.84
Rot. Bonds3

About 2-N,2-N,2-trimethylpent-4-ene-2,3-diamine

2-N,2-N,2-trimethylpent-4-ene-2,3-diamine (PubChem CID 79053688) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2-N,2-N,2-trimethylpent-4-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethylpent-4-ene-2,3-diamine
PubChem CID79053688
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2-N,2-N,2-trimethylpent-4-ene-2,3-diamine
SMILESC=CC(N)C(C)(C)N(C)C
InChIInChI=1S/C8H18N2/c1-6-7(9)8(2,3)10(4)5/h6-7H,1,9H2,2-5H3
InChIKeyLRZROOQHGUMOIJ-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
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 2-N,2-N,2-trimethylpent-4-ene-2,3-diamine?
The IUPAC name of 2-N,2-N,2-trimethylpent-4-ene-2,3-diamine (CID 79053688) is 2-N,2-N,2-trimethylpent-4-ene-2,3-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethylpent-4-ene-2,3-diamine?
The canonical SMILES for 2-N,2-N,2-trimethylpent-4-ene-2,3-diamine is C=CC(N)C(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethylpent-4-ene-2,3-diamine?
The InChIKey is LRZROOQHGUMOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-7(9)8(2,3)10(4)5/h6-7H,1,9H2,2-5H3.
What are the key properties of 2-N,2-N,2-trimethylpent-4-ene-2,3-diamine?
2-N,2-N,2-trimethylpent-4-ene-2,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethylpent-4-ene-2,3-diamine is sourced from PubChem (CID 79053688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).