3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine

C18H24N2 — CID 103698449

IUPAC3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
SMILESc1ccc2nc(CNCCCC3CCCC3)ccc2c1
InChIInChI=1S/C18H24N2/c1-2-7-15(6-1)8-5-13-19-14-17-12-11-16-9-3-4-10-18(16)20-17/h3-4,9-12,15,19H,1-2,5-8,13-14H2
InChIKeyAOSKOXRFLQEQRJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.29
Rot. Bonds6

About 3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine

3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine (PubChem CID 103698449) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
PubChem CID103698449
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
SMILESc1ccc2nc(CNCCCC3CCCC3)ccc2c1
InChIInChI=1S/C18H24N2/c1-2-7-15(6-1)8-5-13-19-14-17-12-11-16-9-3-4-10-18(16)20-17/h3-4,9-12,15,19H,1-2,5-8,13-14H2
InChIKeyAOSKOXRFLQEQRJ-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.29
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

1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158
4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
CID 79039070
3-cyclopentyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114136937
2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 103699309
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
CID 114008239
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
CID 70905536
2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol
CID 103992599
N-(quinolin-2-ylmethyl)cyclohexanamine
CID 28774764
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
1-(4-ethylcyclohexyl)-N-(quinolin-2-ylmethyl)methanamine
CID 63491346

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine (CID 103698449) is 3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine is c1ccc2nc(CNCCCC3CCCC3)ccc2c1.
What is the InChIKey of 3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine?
The InChIKey is AOSKOXRFLQEQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-7-15(6-1)8-5-13-19-14-17-12-11-16-9-3-4-10-18(16)20-17/h3-4,9-12,15,19H,1-2,5-8,13-14H2.
What are the key properties of 3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine?
3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 103698449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).