10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole

C16H21N — CID 145177333

IUPAC10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
SMILESCCC(C)c1c2n(c3ccccc13)CCCC2
InChIInChI=1S/C16H21N/c1-3-12(2)16-13-8-4-5-9-14(13)17-11-7-6-10-15(16)17/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyYXPQWQQYQDMDKU-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.49
Rot. Bonds2

About 10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole

10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole (PubChem CID 145177333) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole.

Molecular Properties

Compound Name10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
PubChem CID145177333
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
SMILESCCC(C)c1c2n(c3ccccc13)CCCC2
InChIInChI=1S/C16H21N/c1-3-12(2)16-13-8-4-5-9-14(13)17-11-7-6-10-15(16)17/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyYXPQWQQYQDMDKU-UHFFFAOYSA-N
XLogP4.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 58315233
4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 134444762
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
CID 10442668
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
CID 19599427
1-(6-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)propan-1-amine
CID 173219485
4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one
CID 53359870
10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84621981
4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 11074354
3-butan-2-yl-2-butyl-1-methylindole
CID 134480069
(4-methylnaphthalen-1-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 66764509
10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide
CID 134310392
(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 56838054

Frequently Asked Questions

What is the IUPAC name of 10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The IUPAC name of 10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole (CID 145177333) is 10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole.
What is the SMILES notation for 10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The canonical SMILES for 10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole is CCC(C)c1c2n(c3ccccc13)CCCC2.
What is the InChIKey of 10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The InChIKey is YXPQWQQYQDMDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-12(2)16-13-8-4-5-9-14(13)17-11-7-6-10-15(16)17/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3.
What are the key properties of 10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole?
10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole has a molecular weight of 227.35 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole is sourced from PubChem (CID 145177333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).