5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine

C15H26ClN3 — CID 114926548

IUPAC5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCC(C)(C)N(C)c1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C15H26ClN3/c1-7-15(4,5)19(6)14-8-12(9-17-11(2)3)13(16)10-18-14/h8,10-11,17H,7,9H2,1-6H3
InChIKeyHOCQUCWPKMAREN-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.86
Rot. Bonds6

About 5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine

5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 114926548) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID114926548
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCC(C)(C)N(C)c1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C15H26ClN3/c1-7-15(4,5)19(6)14-8-12(9-17-11(2)3)13(16)10-18-14/h8,10-11,17H,7,9H2,1-6H3
InChIKeyHOCQUCWPKMAREN-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

5-chloro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925475
5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925172
N,2-dimethyl-N-(2-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247722
5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926132
4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
CID 114925367
5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925937
2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 114927139
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926513
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 114926548) is 5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine is CCC(C)(C)N(C)c1cc(CNC(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is HOCQUCWPKMAREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-7-15(4,5)19(6)14-8-12(9-17-11(2)3)13(16)10-18-14/h8,10-11,17H,7,9H2,1-6H3.
What are the key properties of 5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 283.85 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 114926548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).