5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine

C12H20ClN3 — CID 62286857

IUPAC5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine
SMILESCCCC(C)N(C)c1ncc(CN)cc1Cl
InChIInChI=1S/C12H20ClN3/c1-4-5-9(2)16(3)12-11(13)6-10(7-14)8-15-12/h6,8-9H,4-5,7,14H2,1-3H3
InChIKeyJGBSCSKJVDJYHO-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.82
Rot. Bonds5

About 5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine

5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine (PubChem CID 62286857) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine
PubChem CID62286857
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine
SMILESCCCC(C)N(C)c1ncc(CN)cc1Cl
InChIInChI=1S/C12H20ClN3/c1-4-5-9(2)16(3)12-11(13)6-10(7-14)8-15-12/h6,8-9H,4-5,7,14H2,1-3H3
InChIKeyJGBSCSKJVDJYHO-UHFFFAOYSA-N
XLogP2.82
TPSA42.15 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 62285526
N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine
CID 62278984
5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112665201
3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288855
5-(aminomethyl)-3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62286524
[5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
CID 61257693
3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine
CID 79718360
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine
CID 80630255
[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62978853
2-N-methyl-2-N-pentan-2-ylpyrimidine-2,5-diamine
CID 61145457
5-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 55054503
5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62285878

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine (CID 62286857) is 5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine is CCCC(C)N(C)c1ncc(CN)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine?
The InChIKey is JGBSCSKJVDJYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-5-9(2)16(3)12-11(13)6-10(7-14)8-15-12/h6,8-9H,4-5,7,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine?
5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine has a molecular weight of 241.77 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine is sourced from PubChem (CID 62286857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).