(1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine

C19H27N3 — CID 126454153

IUPAC(1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
SMILESC[C@H](CCc1c[nH]c2ccccc12)N1C[C@H]2CC[C@@H](C1)C2N
InChIInChI=1S/C19H27N3/c1-13(22-11-15-8-9-16(12-22)19(15)20)6-7-14-10-21-18-5-3-2-4-17(14)18/h2-5,10,13,15-16,19,21H,6-9,11-12,20H2,1H3/t13-,15-,16+,19?/m1/s1
InChIKeyWCIFBVNRBHWVFY-QJCNXMQDSA-N
MW297.45 g/mol
LogP3.16
Rot. Bonds4

About (1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine

(1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 126454153) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is (1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID126454153
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name(1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
SMILESC[C@H](CCc1c[nH]c2ccccc12)N1C[C@H]2CC[C@@H](C1)C2N
InChIInChI=1S/C19H27N3/c1-13(22-11-15-8-9-16(12-22)19(15)20)6-7-14-10-21-18-5-3-2-4-17(14)18/h2-5,10,13,15-16,19,21H,6-9,11-12,20H2,1H3/t13-,15-,16+,19?/m1/s1
InChIKeyWCIFBVNRBHWVFY-QJCNXMQDSA-N
XLogP3.16
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine with MolForge

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Related Compounds

3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
formic acid;4-[1-[4-(1H-indol-3-yl)butan-2-yl]piperidin-4-yl]-1H-pyridin-2-one
CID 154919066
7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 156586557
N-[(2S)-4-(1H-indol-3-yl)butan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 95221627
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63420547
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
2-(4-hydroxypiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110884235
(3R,4R)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
CID 68688509
(3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
CID 11645106
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of (1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine (CID 126454153) is (1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine is C[C@H](CCc1c[nH]c2ccccc12)N1C[C@H]2CC[C@@H](C1)C2N.
What is the InChIKey of (1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is WCIFBVNRBHWVFY-QJCNXMQDSA-N. The full InChI is InChI=1S/C19H27N3/c1-13(22-11-15-8-9-16(12-22)19(15)20)6-7-14-10-21-18-5-3-2-4-17(14)18/h2-5,10,13,15-16,19,21H,6-9,11-12,20H2,1H3/t13-,15-,16+,19?/m1/s1.
What are the key properties of (1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine?
(1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 297.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 126454153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).