N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine

C18H28N2 — CID 80577083

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine
SMILESCN(CCC1CNc2ccccc21)C1CCCCCC1
InChIInChI=1S/C18H28N2/c1-20(16-8-4-2-3-5-9-16)13-12-15-14-19-18-11-7-6-10-17(15)18/h6-7,10-11,15-16,19H,2-5,8-9,12-14H2,1H3
InChIKeyIOAGDVAVBXOWLH-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.24
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine (PubChem CID 80577083) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine
PubChem CID80577083
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine
SMILESCN(CCC1CNc2ccccc21)C1CCCCCC1
InChIInChI=1S/C18H28N2/c1-20(16-8-4-2-3-5-9-16)13-12-15-14-19-18-11-7-6-10-17(15)18/h6-7,10-11,15-16,19H,2-5,8-9,12-14H2,1H3
InChIKeyIOAGDVAVBXOWLH-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N,2-dimethyloxolan-3-amine
CID 82739817
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 80577284
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-N-ethylethanamine
CID 80577124
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 80577154
N-[2-[cyclopentyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563493
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 80566631
N-[3-(2,3-dihydro-1H-indol-3-yl)propyl]cyclobutanamine
CID 115105527
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 80577188
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-ethyl-1-methoxypropan-2-amine
CID 80577137
3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80566561

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine (CID 80577083) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine is CN(CCC1CNc2ccccc21)C1CCCCCC1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine?
The InChIKey is IOAGDVAVBXOWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20(16-8-4-2-3-5-9-16)13-12-15-14-19-18-11-7-6-10-17(15)18/h6-7,10-11,15-16,19H,2-5,8-9,12-14H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine has a molecular weight of 272.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-methylcycloheptanamine is sourced from PubChem (CID 80577083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).