N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine

C16H19ClN2 — CID 113294684

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine
SMILESClCC1(CNc2ccnc3ccccc23)CCCC1
InChIInChI=1S/C16H19ClN2/c17-11-16(8-3-4-9-16)12-19-15-7-10-18-14-6-2-1-5-13(14)15/h1-2,5-7,10H,3-4,8-9,11-12H2,(H,18,19)
InChIKeyPHHVQJZJUSPUTH-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.45
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine

N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine (PubChem CID 113294684) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine
PubChem CID113294684
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine
SMILESClCC1(CNc2ccnc3ccccc23)CCCC1
InChIInChI=1S/C16H19ClN2/c17-11-16(8-3-4-9-16)12-19-15-7-10-18-14-6-2-1-5-13(14)15/h1-2,5-7,10H,3-4,8-9,11-12H2,(H,18,19)
InChIKeyPHHVQJZJUSPUTH-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine (CID 113294684) is N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine is ClCC1(CNc2ccnc3ccccc23)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine?
The InChIKey is PHHVQJZJUSPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c17-11-16(8-3-4-9-16)12-19-15-7-10-18-14-6-2-1-5-13(14)15/h1-2,5-7,10H,3-4,8-9,11-12H2,(H,18,19).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine?
N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine has a molecular weight of 274.79 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine is sourced from PubChem (CID 113294684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).