N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

C18H29N3 — CID 80649895

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)C(CNCc1cccc2c1NCC2)N1CCCC1
InChIInChI=1S/C18H29N3/c1-14(2)17(21-10-3-4-11-21)13-19-12-16-7-5-6-15-8-9-20-18(15)16/h5-7,14,17,19-20H,3-4,8-13H2,1-2H3
InChIKeyQSLHEXVSJYPSOQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.86
Rot. Bonds6

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 80649895) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID80649895
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)C(CNCc1cccc2c1NCC2)N1CCCC1
InChIInChI=1S/C18H29N3/c1-14(2)17(21-10-3-4-11-21)13-19-12-16-7-5-6-15-8-9-20-18(15)16/h5-7,14,17,19-20H,3-4,8-13H2,1-2H3
InChIKeyQSLHEXVSJYPSOQ-UHFFFAOYSA-N
XLogP2.86
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
CID 80650053
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43111449
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine
CID 80645613
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 114093179
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 80649137
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
CID 80649218
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methyl-4-pyridinyl)methanamine
CID 114699338

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 80649895) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is CC(C)C(CNCc1cccc2c1NCC2)N1CCCC1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is QSLHEXVSJYPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)17(21-10-3-4-11-21)13-19-12-16-7-5-6-15-8-9-20-18(15)16/h5-7,14,17,19-20H,3-4,8-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 80649895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).