3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine

C16H21N3 — CID 114543465

IUPAC3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine
SMILESCC1CCC(Nc2c(CN)cnc3ccccc23)C1
InChIInChI=1S/C16H21N3/c1-11-6-7-13(8-11)19-16-12(9-17)10-18-15-5-3-2-4-14(15)16/h2-5,10-11,13H,6-9,17H2,1H3,(H,18,19)
InChIKeySEZDVGCRYZEQQD-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.29
Rot. Bonds3

About 3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine

3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine (PubChem CID 114543465) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine
PubChem CID114543465
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine
SMILESCC1CCC(Nc2c(CN)cnc3ccccc23)C1
InChIInChI=1S/C16H21N3/c1-11-6-7-13(8-11)19-16-12(9-17)10-18-15-5-3-2-4-14(15)16/h2-5,10-11,13H,6-9,17H2,1H3,(H,18,19)
InChIKeySEZDVGCRYZEQQD-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine (CID 114543465) is 3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine is CC1CCC(Nc2c(CN)cnc3ccccc23)C1.
What is the InChIKey of 3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine?
The InChIKey is SEZDVGCRYZEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-6-7-13(8-11)19-16-12(9-17)10-18-15-5-3-2-4-14(15)16/h2-5,10-11,13H,6-9,17H2,1H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine?
3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methylcyclopentyl)quinolin-4-amine is sourced from PubChem (CID 114543465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).