[1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine

C13H18N2 — CID 115105775

IUPAC[1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine
SMILESNCc1ccc2c(c1)N(CC1CC1)CC2
InChIInChI=1S/C13H18N2/c14-8-11-3-4-12-5-6-15(13(12)7-11)9-10-1-2-10/h3-4,7,10H,1-2,5-6,8-9,14H2
InChIKeyCOURQFXNZXEOSF-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.92
Rot. Bonds3

About [1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine

[1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine (PubChem CID 115105775) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine
PubChem CID115105775
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name[1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine
SMILESNCc1ccc2c(c1)N(CC1CC1)CC2
InChIInChI=1S/C13H18N2/c14-8-11-3-4-12-5-6-15(13(12)7-11)9-10-1-2-10/h3-4,7,10H,1-2,5-6,8-9,14H2
InChIKeyCOURQFXNZXEOSF-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine?
The IUPAC name of [1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine (CID 115105775) is [1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine.
What is the SMILES notation for [1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine?
The canonical SMILES for [1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine is NCc1ccc2c(c1)N(CC1CC1)CC2.
What is the InChIKey of [1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine?
The InChIKey is COURQFXNZXEOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-8-11-3-4-12-5-6-15(13(12)7-11)9-10-1-2-10/h3-4,7,10H,1-2,5-6,8-9,14H2.
What are the key properties of [1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine?
[1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine is sourced from PubChem (CID 115105775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).