N'-prop-2-enyl-N'-propylethane-1,2-diamine

C8H18N2 — CID 54159625

IUPACN'-prop-2-enyl-N'-propylethane-1,2-diamine
SMILESC=CCN(CCC)CCN
InChIInChI=1S/C8H18N2/c1-3-6-10(7-4-2)8-5-9/h3H,1,4-9H2,2H3
InChIKeyWCLLXKXQVRMPDA-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.84
Rot. Bonds6

About N'-prop-2-enyl-N'-propylethane-1,2-diamine

N'-prop-2-enyl-N'-propylethane-1,2-diamine (PubChem CID 54159625) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-prop-2-enyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-prop-2-enyl-N'-propylethane-1,2-diamine
PubChem CID54159625
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-prop-2-enyl-N'-propylethane-1,2-diamine
SMILESC=CCN(CCC)CCN
InChIInChI=1S/C8H18N2/c1-3-6-10(7-4-2)8-5-9/h3H,1,4-9H2,2H3
InChIKeyWCLLXKXQVRMPDA-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 N'-prop-2-enyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-prop-2-enyl-N'-propylethane-1,2-diamine (CID 54159625) is N'-prop-2-enyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-prop-2-enyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-prop-2-enyl-N'-propylethane-1,2-diamine is C=CCN(CCC)CCN.
What is the InChIKey of N'-prop-2-enyl-N'-propylethane-1,2-diamine?
The InChIKey is WCLLXKXQVRMPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-6-10(7-4-2)8-5-9/h3H,1,4-9H2,2H3.
What are the key properties of N'-prop-2-enyl-N'-propylethane-1,2-diamine?
N'-prop-2-enyl-N'-propylethane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 54159625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).