4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride

C15H20ClN3 — CID 120908917

IUPAC4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2ccc3ncccc3c2)CC1N.Cl
InChIInChI=1S/C15H19N3.ClH/c1-11-8-18(10-14(11)16)9-12-4-5-15-13(7-12)3-2-6-17-15;/h2-7,11,14H,8-10,16H2,1H3;1H
InChIKeyZLXFWMNNEKNOAO-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.44
Rot. Bonds2

About 4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride

4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 120908917) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
PubChem CID120908917
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2ccc3ncccc3c2)CC1N.Cl
InChIInChI=1S/C15H19N3.ClH/c1-11-8-18(10-14(11)16)9-12-4-5-15-13(7-12)3-2-6-17-15;/h2-7,11,14H,8-10,16H2,1H3;1H
InChIKeyZLXFWMNNEKNOAO-UHFFFAOYSA-N
XLogP2.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride (CID 120908917) is 4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride is CC1CN(Cc2ccc3ncccc3c2)CC1N.Cl.
What is the InChIKey of 4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is ZLXFWMNNEKNOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3.ClH/c1-11-8-18(10-14(11)16)9-12-4-5-15-13(7-12)3-2-6-17-15;/h2-7,11,14H,8-10,16H2,1H3;1H.
What are the key properties of 4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride?
4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120908917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).