3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine

C19H30ClN3 — CID 58172176

IUPAC3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine
SMILESCC(C)(C)N1CC2(CCN(CCCN)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C19H30ClN3/c1-18(2,3)23-14-19(16-13-15(20)5-6-17(16)23)7-11-22(12-8-19)10-4-9-21/h5-6,13H,4,7-12,14,21H2,1-3H3
InChIKeySVWVJRBGOCQGOU-UHFFFAOYSA-N
MW335.92 g/mol
LogP3.64
Rot. Bonds3

About 3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine

3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine (PubChem CID 58172176) has the molecular formula C19H30ClN3 and a molecular weight of 335.92 g/mol. Its IUPAC name is 3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine
PubChem CID58172176
Molecular FormulaC19H30ClN3
Molecular Weight335.92 g/mol
Exact Mass335.21
IUPAC Name3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine
SMILESCC(C)(C)N1CC2(CCN(CCCN)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C19H30ClN3/c1-18(2,3)23-14-19(16-13-15(20)5-6-17(16)23)7-11-22(12-8-19)10-4-9-21/h5-6,13H,4,7-12,14,21H2,1-3H3
InChIKeySVWVJRBGOCQGOU-UHFFFAOYSA-N
XLogP3.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine?
The IUPAC name of 3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine (CID 58172176) is 3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine.
What is the SMILES notation for 3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine?
The canonical SMILES for 3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine is CC(C)(C)N1CC2(CCN(CCCN)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine?
The InChIKey is SVWVJRBGOCQGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3/c1-18(2,3)23-14-19(16-13-15(20)5-6-17(16)23)7-11-22(12-8-19)10-4-9-21/h5-6,13H,4,7-12,14,21H2,1-3H3.
What are the key properties of 3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine?
3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine has a molecular weight of 335.92 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine is sourced from PubChem (CID 58172176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).