(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine

C13H16N2 — CID 171225082

IUPAC(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine
SMILESN[C@@H](CC1CC1)c1cccc2[nH]ccc12
InChIInChI=1S/C13H16N2/c14-12(8-9-4-5-9)10-2-1-3-13-11(10)6-7-15-13/h1-3,6-7,9,12,15H,4-5,8,14H2/t12-/m0/s1
InChIKeySEQIPWJLXURQMO-LBPRGKRZSA-N
MW200.29 g/mol
LogP2.97
Rot. Bonds3

About (1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine

(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine (PubChem CID 171225082) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine
PubChem CID171225082
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine
SMILESN[C@@H](CC1CC1)c1cccc2[nH]ccc12
InChIInChI=1S/C13H16N2/c14-12(8-9-4-5-9)10-2-1-3-13-11(10)6-7-15-13/h1-3,6-7,9,12,15H,4-5,8,14H2/t12-/m0/s1
InChIKeySEQIPWJLXURQMO-LBPRGKRZSA-N
XLogP2.97
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
CID 130708711
(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131619295
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
CID 171268223
(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131385428
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole
CID 171277795
(1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol
CID 171262554
(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol
CID 171205537
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one
CID 130719502
(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride
CID 171205497
(1S)-4,4,4-trifluoro-1-(1H-indol-4-yl)butan-1-amine;hydrochloride
CID 171225086

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine?
The IUPAC name of (1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine (CID 171225082) is (1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine?
The canonical SMILES for (1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine is N[C@@H](CC1CC1)c1cccc2[nH]ccc12.
What is the InChIKey of (1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine?
The InChIKey is SEQIPWJLXURQMO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2/c14-12(8-9-4-5-9)10-2-1-3-13-11(10)6-7-15-13/h1-3,6-7,9,12,15H,4-5,8,14H2/t12-/m0/s1.
What are the key properties of (1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine?
(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine has a molecular weight of 200.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine is sourced from PubChem (CID 171225082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).