(1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine

C13H15N — CID 140604704

IUPAC(1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine
SMILESC#CC[C@]1(NC)CCc2ccccc21
InChIInChI=1S/C13H15N/c1-3-9-13(14-2)10-8-11-6-4-5-7-12(11)13/h1,4-7,14H,8-10H2,2H3/t13-/m0/s1
InChIKeySQGPJNRKLZOTMK-ZDUSSCGKSA-N
MW185.27 g/mol
LogP2.07
Rot. Bonds2

About (1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine

(1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine (PubChem CID 140604704) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name(1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine
PubChem CID140604704
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine
SMILESC#CC[C@]1(NC)CCc2ccccc21
InChIInChI=1S/C13H15N/c1-3-9-13(14-2)10-8-11-6-4-5-7-12(11)13/h1,4-7,14H,8-10H2,2H3/t13-/m0/s1
InChIKeySQGPJNRKLZOTMK-ZDUSSCGKSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.07
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 (1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine?
The IUPAC name of (1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine (CID 140604704) is (1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine.
What is the SMILES notation for (1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine?
The canonical SMILES for (1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine is C#CC[C@]1(NC)CCc2ccccc21.
What is the InChIKey of (1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine?
The InChIKey is SQGPJNRKLZOTMK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15N/c1-3-9-13(14-2)10-8-11-6-4-5-7-12(11)13/h1,4-7,14H,8-10H2,2H3/t13-/m0/s1.
What are the key properties of (1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine?
(1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine has a molecular weight of 185.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine is sourced from PubChem (CID 140604704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).