5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine

C14H22ClN3 — CID 116539727

IUPAC5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine
SMILESCCCNC1CCC(C)(c2cc(Cl)cnc2N)C1
InChIInChI=1S/C14H22ClN3/c1-3-6-17-11-4-5-14(2,8-11)12-7-10(15)9-18-13(12)16/h7,9,11,17H,3-6,8H2,1-2H3,(H2,16,18)
InChIKeyJNIORSRERFJLCH-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.13
Rot. Bonds4

About 5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine

5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine (PubChem CID 116539727) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine
PubChem CID116539727
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine
SMILESCCCNC1CCC(C)(c2cc(Cl)cnc2N)C1
InChIInChI=1S/C14H22ClN3/c1-3-6-17-11-4-5-14(2,8-11)12-7-10(15)9-18-13(12)16/h7,9,11,17H,3-6,8H2,1-2H3,(H2,16,18)
InChIKeyJNIORSRERFJLCH-UHFFFAOYSA-N
XLogP3.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine (CID 116539727) is 5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine is CCCNC1CCC(C)(c2cc(Cl)cnc2N)C1.
What is the InChIKey of 5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine?
The InChIKey is JNIORSRERFJLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-6-17-11-4-5-14(2,8-11)12-7-10(15)9-18-13(12)16/h7,9,11,17H,3-6,8H2,1-2H3,(H2,16,18).
What are the key properties of 5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine?
5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine is sourced from PubChem (CID 116539727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).