(1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine

C13H18N2 — CID 115115080

IUPAC(1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine
SMILESNCc1ccc2c(c1)CCN2C1CCC1
InChIInChI=1S/C13H18N2/c14-9-10-4-5-13-11(8-10)6-7-15(13)12-2-1-3-12/h4-5,8,12H,1-3,6-7,9,14H2
InChIKeyHPHHWDQBDMXQCK-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.06
Rot. Bonds2

About (1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine

(1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine (PubChem CID 115115080) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine.

Molecular Properties

Compound Name(1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine
PubChem CID115115080
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine
SMILESNCc1ccc2c(c1)CCN2C1CCC1
InChIInChI=1S/C13H18N2/c14-9-10-4-5-13-11(8-10)6-7-15(13)12-2-1-3-12/h4-5,8,12H,1-3,6-7,9,14H2
InChIKeyHPHHWDQBDMXQCK-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclopentyl-2,3-dihydroindol-5-yl)methanamine
CID 115115353
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)ethanamine
CID 115115356
(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol
CID 121204209
5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde
CID 82503449
1-cyclohexyl-5-ethenyl-2,3-dihydroindole
CID 66772198
2-(1-cyclohexyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 117118471
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol
CID 115115348
3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid
CID 115115116
1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol
CID 117118466
6-(aminomethyl)-1-(sulfanylmethyl)-3,4-dihydroquinolin-2-one
CID 115227916
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline
CID 163673039

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine?
The IUPAC name of (1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine (CID 115115080) is (1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine.
What is the SMILES notation for (1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine?
The canonical SMILES for (1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine is NCc1ccc2c(c1)CCN2C1CCC1.
What is the InChIKey of (1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine?
The InChIKey is HPHHWDQBDMXQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-9-10-4-5-13-11(8-10)6-7-15(13)12-2-1-3-12/h4-5,8,12H,1-3,6-7,9,14H2.
What are the key properties of (1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine?
(1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine has a molecular weight of 202.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine is sourced from PubChem (CID 115115080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).