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

C8H16N2 — CID 79093589

IUPAC1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine
SMILESC#CCC(CN(C)C)NC
InChIInChI=1S/C8H16N2/c1-5-6-8(9-2)7-10(3)4/h1,8-9H,6-7H2,2-4H3
InChIKeyPGTGZTXLINXKQW-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.16
Rot. Bonds4

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

1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine (PubChem CID 79093589) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine
PubChem CID79093589
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine
SMILESC#CCC(CN(C)C)NC
InChIInChI=1S/C8H16N2/c1-5-6-8(9-2)7-10(3)4/h1,8-9H,6-7H2,2-4H3
InChIKeyPGTGZTXLINXKQW-UHFFFAOYSA-N
XLogP0.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine (CID 79093589) is 1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine is C#CCC(CN(C)C)NC.
What is the InChIKey of 1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine?
The InChIKey is PGTGZTXLINXKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-6-8(9-2)7-10(3)4/h1,8-9H,6-7H2,2-4H3.
What are the key properties of 1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine?
1-N,1-N,2-N-trimethylpent-4-yne-1,2-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.16, 4 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-yne-1,2-diamine is sourced from PubChem (CID 79093589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).