5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine

C12H18ClN3 — CID 79312980

IUPAC5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
SMILESCN(CC1CCCN1C)c1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3/c1-15-7-3-4-11(15)9-16(2)12-6-5-10(13)8-14-12/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyBXHMVDZSFCFFBK-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.27
Rot. Bonds3

About 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine

5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine (PubChem CID 79312980) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
PubChem CID79312980
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
SMILESCN(CC1CCCN1C)c1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3/c1-15-7-3-4-11(15)9-16(2)12-6-5-10(13)8-14-12/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyBXHMVDZSFCFFBK-UHFFFAOYSA-N
XLogP2.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79303386
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 116649014
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719724
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848122
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 79310791
4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848121
2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861920
N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 79310788
2-N-ethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848596
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 113320651
2-N,6-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,6-diamine
CID 80848914

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine (CID 79312980) is 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine is CN(CC1CCCN1C)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
The InChIKey is BXHMVDZSFCFFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-15-7-3-4-11(15)9-16(2)12-6-5-10(13)8-14-12/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79312980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).