3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine

C19H26N2 — CID 106008790

IUPAC3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
SMILESCc1ccc2cc(CNCCCC3CCCC3)ccc2n1
InChIInChI=1S/C19H26N2/c1-15-8-10-18-13-17(9-11-19(18)21-15)14-20-12-4-7-16-5-2-3-6-16/h8-11,13,16,20H,2-7,12,14H2,1H3
InChIKeyNSDJCRDOBOOLQC-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.60
Rot. Bonds6

About 3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine

3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine (PubChem CID 106008790) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
PubChem CID106008790
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
SMILESCc1ccc2cc(CNCCCC3CCCC3)ccc2n1
InChIInChI=1S/C19H26N2/c1-15-8-10-18-13-17(9-11-19(18)21-15)14-20-12-4-7-16-5-2-3-6-16/h8-11,13,16,20H,2-7,12,14H2,1H3
InChIKeyNSDJCRDOBOOLQC-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378460
3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115639548
N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine
CID 105378694
3-cyclopentyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114136937
N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine
CID 105378407
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 119034515
4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
CID 105378440
N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
CID 105378256
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
CID 105378521

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine (CID 106008790) is 3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine is Cc1ccc2cc(CNCCCC3CCCC3)ccc2n1.
What is the InChIKey of 3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
The InChIKey is NSDJCRDOBOOLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15-8-10-18-13-17(9-11-19(18)21-15)14-20-12-4-7-16-5-2-3-6-16/h8-11,13,16,20H,2-7,12,14H2,1H3.
What are the key properties of 3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine?
3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 106008790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).