N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine

C24H27N3 — CID 28697203

IUPACN-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine
SMILESCN(Cc1ccccc1)C1(CNCc2ccccn2)Cc2ccccc2C1
InChIInChI=1S/C24H27N3/c1-27(18-20-9-3-2-4-10-20)24(15-21-11-5-6-12-22(21)16-24)19-25-17-23-13-7-8-14-26-23/h2-14,25H,15-19H2,1H3
InChIKeyVZFUYAUYOPELBZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.84
Rot. Bonds7

About N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine

N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine (PubChem CID 28697203) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine
PubChem CID28697203
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC NameN-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine
SMILESCN(Cc1ccccc1)C1(CNCc2ccccn2)Cc2ccccc2C1
InChIInChI=1S/C24H27N3/c1-27(18-20-9-3-2-4-10-20)24(15-21-11-5-6-12-22(21)16-24)19-25-17-23-13-7-8-14-26-23/h2-14,25H,15-19H2,1H3
InChIKeyVZFUYAUYOPELBZ-UHFFFAOYSA-N
XLogP3.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine
CID 28768721
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-2-ylmethanamine
CID 103735456
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
2-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415914
[1-[(pyridin-2-ylmethylamino)methyl]cyclopentyl]methanol
CID 115358745
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148278
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
CID 115999031
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine?
The IUPAC name of N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine (CID 28697203) is N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine is CN(Cc1ccccc1)C1(CNCc2ccccn2)Cc2ccccc2C1.
What is the InChIKey of N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine?
The InChIKey is VZFUYAUYOPELBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3/c1-27(18-20-9-3-2-4-10-20)24(15-21-11-5-6-12-22(21)16-24)19-25-17-23-13-7-8-14-26-23/h2-14,25H,15-19H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine?
N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine has a molecular weight of 357.50 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(pyridin-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 28697203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).