2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine

C19H30N2 — CID 63481774

IUPAC2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN1c2ccccc2CCC1C
InChIInChI=1S/C19H30N2/c1-3-13-20-18-9-6-8-17(18)14-21-15(2)11-12-16-7-4-5-10-19(16)21/h4-5,7,10,15,17-18,20H,3,6,8-9,11-14H2,1-2H3
InChIKeyPUQXTTSVWIUPCB-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.00
Rot. Bonds5

About 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine

2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine (PubChem CID 63481774) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine
PubChem CID63481774
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN1c2ccccc2CCC1C
InChIInChI=1S/C19H30N2/c1-3-13-20-18-9-6-8-17(18)14-21-15(2)11-12-16-7-4-5-10-19(16)21/h4-5,7,10,15,17-18,20H,3,6,8-9,11-14H2,1-2H3
InChIKeyPUQXTTSVWIUPCB-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine (CID 63481774) is 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CN1c2ccccc2CCC1C.
What is the InChIKey of 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine?
The InChIKey is PUQXTTSVWIUPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-13-20-18-9-6-8-17(18)14-21-15(2)11-12-16-7-4-5-10-19(16)21/h4-5,7,10,15,17-18,20H,3,6,8-9,11-14H2,1-2H3.
What are the key properties of 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine?
2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 63481774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).