3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole

C16H24N2 — CID 80566561

IUPAC3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC1CCCCCN1CC1CNc2ccccc21
InChIInChI=1S/C16H24N2/c1-13-7-3-2-6-10-18(13)12-14-11-17-16-9-5-4-8-15(14)16/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3
InChIKeyZXKWCCGIZYKDPJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.46
Rot. Bonds2

About 3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole

3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 80566561) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID80566561
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC1CCCCCN1CC1CNc2ccccc21
InChIInChI=1S/C16H24N2/c1-13-7-3-2-6-10-18(13)12-14-11-17-16-9-5-4-8-15(14)16/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3
InChIKeyZXKWCCGIZYKDPJ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80567119
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 80573934
3-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80574822
3-[2-(2-propylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 83055716
3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80565820
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 80565688
4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine
CID 80567140
3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80577266
4-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 83055722
4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine
CID 80566784
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine
CID 80577083

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole (CID 80566561) is 3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole is CC1CCCCCN1CC1CNc2ccccc21.
What is the InChIKey of 3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is ZXKWCCGIZYKDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-7-3-2-6-10-18(13)12-14-11-17-16-9-5-4-8-15(14)16/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3.
What are the key properties of 3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole?
3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 244.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 80566561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).