1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine

C8H18N2 — CID 129016122

IUPAC1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine
SMILESC=CCC(NC)NCCC
InChIInChI=1S/C8H18N2/c1-4-6-8(9-3)10-7-5-2/h4,8-10H,1,5-7H2,2-3H3
InChIKeyVAJZVPJAZANXJJ-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.11
Rot. Bonds6

About 1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine

1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine (PubChem CID 129016122) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine
PubChem CID129016122
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine
SMILESC=CCC(NC)NCCC
InChIInChI=1S/C8H18N2/c1-4-6-8(9-3)10-7-5-2/h4,8-10H,1,5-7H2,2-3H3
InChIKeyVAJZVPJAZANXJJ-UHFFFAOYSA-N
XLogP1.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine?
The IUPAC name of 1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine (CID 129016122) is 1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine.
What is the SMILES notation for 1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine?
The canonical SMILES for 1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine is C=CCC(NC)NCCC.
What is the InChIKey of 1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine?
The InChIKey is VAJZVPJAZANXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-8(9-3)10-7-5-2/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine?
1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine is sourced from PubChem (CID 129016122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).