5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine

C12H18ClN3 — CID 63956306

IUPAC5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine
SMILESCCN(Cc1nc(N)ccc1Cl)CC1CC1
InChIInChI=1S/C12H18ClN3/c1-2-16(7-9-3-4-9)8-11-10(13)5-6-12(14)15-11/h5-6,9H,2-4,7-8H2,1H3,(H2,14,15)
InChIKeyVGDKKUBCPSLEOG-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.55
Rot. Bonds5

About 5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine

5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine (PubChem CID 63956306) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine
PubChem CID63956306
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine
SMILESCCN(Cc1nc(N)ccc1Cl)CC1CC1
InChIInChI=1S/C12H18ClN3/c1-2-16(7-9-3-4-9)8-11-10(13)5-6-12(14)15-11/h5-6,9H,2-4,7-8H2,1H3,(H2,14,15)
InChIKeyVGDKKUBCPSLEOG-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine (CID 63956306) is 5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine is CCN(Cc1nc(N)ccc1Cl)CC1CC1.
What is the InChIKey of 5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine?
The InChIKey is VGDKKUBCPSLEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-16(7-9-3-4-9)8-11-10(13)5-6-12(14)15-11/h5-6,9H,2-4,7-8H2,1H3,(H2,14,15).
What are the key properties of 5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine?
5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 63956306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).