1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine

C9H20N2 — CID 79177992

IUPAC1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine
SMILESCNC(C=C(C)C)CN(C)C
InChIInChI=1S/C9H20N2/c1-8(2)6-9(10-3)7-11(4)5/h6,9-10H,7H2,1-5H3
InChIKeyWPETUTZAFCKYGB-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.10
Rot. Bonds4

About 1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine

1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine (PubChem CID 79177992) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine
PubChem CID79177992
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine
SMILESCNC(C=C(C)C)CN(C)C
InChIInChI=1S/C9H20N2/c1-8(2)6-9(10-3)7-11(4)5/h6,9-10H,7H2,1-5H3
InChIKeyWPETUTZAFCKYGB-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.10
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,4-tetramethylpent-3-ene-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine (CID 79177992) is 1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine is CNC(C=C(C)C)CN(C)C.
What is the InChIKey of 1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine?
The InChIKey is WPETUTZAFCKYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)6-9(10-3)7-11(4)5/h6,9-10H,7H2,1-5H3.
What are the key properties of 1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine?
1-N,1-N,2-N,4-tetramethylpent-3-ene-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.10, 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,4-tetramethylpent-3-ene-1,2-diamine is sourced from PubChem (CID 79177992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).