(1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

C13H15N — CID 5289295

IUPAC(1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN(C)[C@@H]1CCc2ccccc21
InChIInChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1
InChIKeyCSVGVHNFFZWQJU-CYBMUJFWSA-N
MW185.27 g/mol
LogP2.24
Rot. Bonds2

About (1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

(1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 5289295) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
PubChem CID5289295
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN(C)[C@@H]1CCc2ccccc21
InChIInChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1
InChIKeyCSVGVHNFFZWQJU-CYBMUJFWSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
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-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (CID 5289295) is (1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is C#CCN(C)[C@@H]1CCc2ccccc21.
What is the InChIKey of (1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CSVGVHNFFZWQJU-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1.
What are the key properties of (1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
(1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 185.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 5289295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).