N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine

C20H33N3 — CID 77097801

IUPACN,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCN1Cc2ccc(CN(C)CC(C)(C)N3CCCCC3)cc2C1
InChIInChI=1S/C20H33N3/c1-20(2,23-10-6-5-7-11-23)16-22(4)13-17-8-9-18-14-21(3)15-19(18)12-17/h8-9,12H,5-7,10-11,13-16H2,1-4H3
InChIKeyAPXADFUEVLTFEC-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.33
Rot. Bonds5

About N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine

N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 77097801) has the molecular formula C20H33N3 and a molecular weight of 315.50 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID77097801
Molecular FormulaC20H33N3
Molecular Weight315.50 g/mol
Exact Mass315.27
IUPAC NameN,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCN1Cc2ccc(CN(C)CC(C)(C)N3CCCCC3)cc2C1
InChIInChI=1S/C20H33N3/c1-20(2,23-10-6-5-7-11-23)16-22(4)13-17-8-9-18-14-21(3)15-19(18)12-17/h8-9,12H,5-7,10-11,13-16H2,1-4H3
InChIKeyAPXADFUEVLTFEC-UHFFFAOYSA-N
XLogP3.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine (CID 77097801) is N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine is CN1Cc2ccc(CN(C)CC(C)(C)N3CCCCC3)cc2C1.
What is the InChIKey of N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is APXADFUEVLTFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3/c1-20(2,23-10-6-5-7-11-23)16-22(4)13-17-8-9-18-14-21(3)15-19(18)12-17/h8-9,12H,5-7,10-11,13-16H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine has a molecular weight of 315.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 77097801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).