N-prop-2-ynyl-1H-inden-1-amine

C12H11N — CID 20977367

IUPACN-prop-2-ynyl-1H-inden-1-amine
SMILESC#CCNC1C=Cc2ccccc21
InChIInChI=1S/C12H11N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-8,12-13H,9H2
InChIKeyOBLHBIQJADNUED-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.98
Rot. Bonds2

About N-prop-2-ynyl-1H-inden-1-amine

N-prop-2-ynyl-1H-inden-1-amine (PubChem CID 20977367) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is N-prop-2-ynyl-1H-inden-1-amine.

Molecular Properties

Compound NameN-prop-2-ynyl-1H-inden-1-amine
PubChem CID20977367
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC NameN-prop-2-ynyl-1H-inden-1-amine
SMILESC#CCNC1C=Cc2ccccc21
InChIInChI=1S/C12H11N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-8,12-13H,9H2
InChIKeyOBLHBIQJADNUED-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-prop-2-ynyl-1H-inden-1-amine?
The IUPAC name of N-prop-2-ynyl-1H-inden-1-amine (CID 20977367) is N-prop-2-ynyl-1H-inden-1-amine.
What is the SMILES notation for N-prop-2-ynyl-1H-inden-1-amine?
The canonical SMILES for N-prop-2-ynyl-1H-inden-1-amine is C#CCNC1C=Cc2ccccc21.
What is the InChIKey of N-prop-2-ynyl-1H-inden-1-amine?
The InChIKey is OBLHBIQJADNUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-8,12-13H,9H2.
What are the key properties of N-prop-2-ynyl-1H-inden-1-amine?
N-prop-2-ynyl-1H-inden-1-amine has a molecular weight of 169.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1H-inden-1-amine is sourced from PubChem (CID 20977367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).