N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine

C15H26ClN3 — CID 62278984

IUPACN-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1ncc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C15H26ClN3/c1-7-11(2)19(6)14-13(16)8-12(9-17-14)10-18-15(3,4)5/h8-9,11,18H,7,10H2,1-6H3
InChIKeyQCONKQKFKQHJRE-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.86
Rot. Bonds5

About N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine

N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine (PubChem CID 62278984) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine
PubChem CID62278984
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC NameN-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1ncc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C15H26ClN3/c1-7-11(2)19(6)14-13(16)8-12(9-17-14)10-18-15(3,4)5/h8-9,11,18H,7,10H2,1-6H3
InChIKeyQCONKQKFKQHJRE-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288855
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine
CID 80630255
5-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62282283
N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 55058238
3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281089
N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine
CID 62279317
5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62286857
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62985251
1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
CID 80635864
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582
N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62296676
[5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
CID 61257693

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine?
The IUPAC name of N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine (CID 62278984) is N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine?
The canonical SMILES for N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine is CCC(C)N(C)c1ncc(CNC(C)(C)C)cc1Cl.
What is the InChIKey of N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine?
The InChIKey is QCONKQKFKQHJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-7-11(2)19(6)14-13(16)8-12(9-17-14)10-18-15(3,4)5/h8-9,11,18H,7,10H2,1-6H3.
What are the key properties of N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine?
N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine has a molecular weight of 283.85 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 62278984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).