5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine

C16H28ClN3 — CID 62288482

IUPAC5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1nc(N(C)CC(C)(C)C)ccc1Cl
InChIInChI=1S/C16H28ClN3/c1-12(2)9-18-10-14-13(17)7-8-15(19-14)20(6)11-16(3,4)5/h7-8,12,18H,9-11H2,1-6H3
InChIKeyBJZZHOWOOGOEPW-UHFFFAOYSA-N
MW297.87 g/mol
LogP3.96
Rot. Bonds6

About 5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine

5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62288482) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62288482
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1nc(N(C)CC(C)(C)C)ccc1Cl
InChIInChI=1S/C16H28ClN3/c1-12(2)9-18-10-14-13(17)7-8-15(19-14)20(6)11-16(3,4)5/h7-8,12,18H,9-11H2,1-6H3
InChIKeyBJZZHOWOOGOEPW-UHFFFAOYSA-N
XLogP3.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288309
5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63866665
5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294383
5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 63489453
5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280243
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279898
5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
CID 82754697
4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850364
5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102700797
N-[[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115942738
N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55054651

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62288482) is 5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1nc(N(C)CC(C)(C)C)ccc1Cl.
What is the InChIKey of 5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is BJZZHOWOOGOEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-12(2)9-18-10-14-13(17)7-8-15(19-14)20(6)11-16(3,4)5/h7-8,12,18H,9-11H2,1-6H3.
What are the key properties of 5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 297.87 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62288482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).