3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C12H20ClN3 — CID 62281089

IUPAC3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(C)c1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C12H20ClN3/c1-5-16(4)12-11(13)6-10(8-15-12)7-14-9(2)3/h6,8-9,14H,5,7H2,1-4H3
InChIKeyHNEFWSLNLNXHCP-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.69
Rot. Bonds5

About 3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62281089) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62281089
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(C)c1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C12H20ClN3/c1-5-16(4)12-11(13)6-10(8-15-12)7-14-9(2)3/h6,8-9,14H,5,7H2,1-4H3
InChIKeyHNEFWSLNLNXHCP-UHFFFAOYSA-N
XLogP2.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62281089) is 3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is CCN(C)c1ncc(CNC(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is HNEFWSLNLNXHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-5-16(4)12-11(13)6-10(8-15-12)7-14-9(2)3/h6,8-9,14H,5,7H2,1-4H3.
What are the key properties of 3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 241.77 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62281089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).