[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine

C14H20N2 — CID 115105607

IUPAC[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine
SMILESNCc1cccc2c1N(CC1CCC1)CC2
InChIInChI=1S/C14H20N2/c15-9-13-6-2-5-12-7-8-16(14(12)13)10-11-3-1-4-11/h2,5-6,11H,1,3-4,7-10,15H2
InChIKeyXAFQSDDDNBUZTF-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.31
Rot. Bonds3

About [1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine

[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine (PubChem CID 115105607) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is [1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine.

Molecular Properties

Compound Name[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine
PubChem CID115105607
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine
SMILESNCc1cccc2c1N(CC1CCC1)CC2
InChIInChI=1S/C14H20N2/c15-9-13-6-2-5-12-7-8-16(14(12)13)10-11-3-1-4-11/h2,5-6,11H,1,3-4,7-10,15H2
InChIKeyXAFQSDDDNBUZTF-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methanamine
CID 115105603
1-(cyclobutylmethyl)-2,3-dihydroindole-7-carbaldehyde
CID 115105685
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]propan-2-amine
CID 117118853
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]ethanamine
CID 115105609
3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid
CID 115105719
8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline
CID 84738520
8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline
CID 119929966
1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-7-yl]ethanone
CID 115105692
3-[4-[[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]methoxy]-2-fluorophenyl]propanal
CID 89063108
1-(oxolan-2-ylmethyl)-2,3-dihydroindol-7-amine
CID 114456219
[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
CID 107105459
[1-(cyclopropylmethyl)-2,3-dihydroindol-6-yl]methanamine
CID 115105775

Frequently Asked Questions

What is the IUPAC name of [1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine?
The IUPAC name of [1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine (CID 115105607) is [1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine.
What is the SMILES notation for [1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine?
The canonical SMILES for [1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine is NCc1cccc2c1N(CC1CCC1)CC2.
What is the InChIKey of [1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine?
The InChIKey is XAFQSDDDNBUZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-9-13-6-2-5-12-7-8-16(14(12)13)10-11-3-1-4-11/h2,5-6,11H,1,3-4,7-10,15H2.
What are the key properties of [1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine?
[1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine has a molecular weight of 216.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclobutylmethyl)-2,3-dihydroindol-7-yl]methanamine is sourced from PubChem (CID 115105607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).