N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine

C12H16N2 — CID 76853849

IUPACN-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine
SMILESc1ccc2c(c1)NCC2NCC1CC1
InChIInChI=1S/C12H16N2/c1-2-4-11-10(3-1)12(8-14-11)13-7-9-5-6-9/h1-4,9,12-14H,5-8H2
InChIKeyOQYKKOZUHTXGBB-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.15
Rot. Bonds3

About N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine

N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine (PubChem CID 76853849) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine
PubChem CID76853849
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine
SMILESc1ccc2c(c1)NCC2NCC1CC1
InChIInChI=1S/C12H16N2/c1-2-4-11-10(3-1)12(8-14-11)13-7-9-5-6-9/h1-4,9,12-14H,5-8H2
InChIKeyOQYKKOZUHTXGBB-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine (CID 76853849) is N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine is c1ccc2c(c1)NCC2NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine?
The InChIKey is OQYKKOZUHTXGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-4-11-10(3-1)12(8-14-11)13-7-9-5-6-9/h1-4,9,12-14H,5-8H2.
What are the key properties of N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine?
N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine has a molecular weight of 188.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine is sourced from PubChem (CID 76853849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).