N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine

C22H28N2 — CID 123562118

IUPACN-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCC1C=CC=C(N(CC2CCCN2)C2Cc3ccccc3C2)C=C1
InChIInChI=1S/C22H28N2/c1-17-6-4-10-21(12-11-17)24(16-20-9-5-13-23-20)22-14-18-7-2-3-8-19(18)15-22/h2-4,6-8,10-12,17,20,22-23H,5,9,13-16H2,1H3
InChIKeyBOPJVTZXDXMERM-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.85
Rot. Bonds4

About N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine

N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 123562118) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID123562118
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC NameN-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCC1C=CC=C(N(CC2CCCN2)C2Cc3ccccc3C2)C=C1
InChIInChI=1S/C22H28N2/c1-17-6-4-10-21(12-11-17)24(16-20-9-5-13-23-20)22-14-18-7-2-3-8-19(18)15-22/h2-4,6-8,10-12,17,20,22-23H,5,9,13-16H2,1H3
InChIKeyBOPJVTZXDXMERM-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine
CID 134382841
ethane;N-(2-fluorophenyl)-N-(2-pyrrolidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 144575319
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106604683
N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 69019447
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 134382774
N-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-en-1-amine
CID 106614320
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893460
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 106610262
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106609150
N-cyclopropyl-2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974150

Frequently Asked Questions

What is the IUPAC name of N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 123562118) is N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine is CC1C=CC=C(N(CC2CCCN2)C2Cc3ccccc3C2)C=C1.
What is the InChIKey of N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is BOPJVTZXDXMERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-17-6-4-10-21(12-11-17)24(16-20-9-5-13-23-20)22-14-18-7-2-3-8-19(18)15-22/h2-4,6-8,10-12,17,20,22-23H,5,9,13-16H2,1H3.
What are the key properties of N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 320.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylcyclohepta-1,3,6-trien-1-yl)-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 123562118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).