2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine

C16H24N2 — CID 43831011

IUPAC2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine
SMILESC=CCC1(N)c2ccccc2CC1N(CC)CC
InChIInChI=1S/C16H24N2/c1-4-11-16(17)14-10-8-7-9-13(14)12-15(16)18(5-2)6-3/h4,7-10,15H,1,5-6,11-12,17H2,2-3H3
InChIKeyBCBVWNQDSLUXNE-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.68
Rot. Bonds5

About 2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine

2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine (PubChem CID 43831011) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine
PubChem CID43831011
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine
SMILESC=CCC1(N)c2ccccc2CC1N(CC)CC
InChIInChI=1S/C16H24N2/c1-4-11-16(17)14-10-8-7-9-13(14)12-15(16)18(5-2)6-3/h4,7-10,15H,1,5-6,11-12,17H2,2-3H3
InChIKeyBCBVWNQDSLUXNE-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.68
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 2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine (CID 43831011) is 2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine is C=CCC1(N)c2ccccc2CC1N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine?
The InChIKey is BCBVWNQDSLUXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-11-16(17)14-10-8-7-9-13(14)12-15(16)18(5-2)6-3/h4,7-10,15H,1,5-6,11-12,17H2,2-3H3.
What are the key properties of 2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine?
2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine is sourced from PubChem (CID 43831011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).