1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine

C8H18N2 — CID 79093787

IUPAC1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine
SMILESC=CCC(CN(C)C)NC
InChIInChI=1S/C8H18N2/c1-5-6-8(9-2)7-10(3)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyDPISLELMXUGXKJ-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.71
Rot. Bonds5

About 1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine

1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine (PubChem CID 79093787) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine
PubChem CID79093787
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine
SMILESC=CCC(CN(C)C)NC
InChIInChI=1S/C8H18N2/c1-5-6-8(9-2)7-10(3)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyDPISLELMXUGXKJ-UHFFFAOYSA-N
XLogP0.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.71
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 1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine (CID 79093787) is 1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine is C=CCC(CN(C)C)NC.
What is the InChIKey of 1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine?
The InChIKey is DPISLELMXUGXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-6-8(9-2)7-10(3)4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine?
1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine is sourced from PubChem (CID 79093787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).