3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

C15H24BrN3 — CID 105367387

IUPAC3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCc1cnc(N(CC2CCNCC2)C(C)C)c(Br)c1
InChIInChI=1S/C15H24BrN3/c1-11(2)19(10-13-4-6-17-7-5-13)15-14(16)8-12(3)9-18-15/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyCDIHNWCXUGGPEX-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.37
Rot. Bonds4

About 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 105367387) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID105367387
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCc1cnc(N(CC2CCNCC2)C(C)C)c(Br)c1
InChIInChI=1S/C15H24BrN3/c1-11(2)19(10-13-4-6-17-7-5-13)15-14(16)8-12(3)9-18-15/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyCDIHNWCXUGGPEX-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine
CID 66280411
3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 112676220
3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine
CID 104506635
3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
CID 105368755
1-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 79703221
5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80820735
5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine
CID 103583262
3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 79705334
5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 107081997
2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 79719768
7-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686927
6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 79719998

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (CID 105367387) is 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is Cc1cnc(N(CC2CCNCC2)C(C)C)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is CDIHNWCXUGGPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-11(2)19(10-13-4-6-17-7-5-13)15-14(16)8-12(3)9-18-15/h8-9,11,13,17H,4-7,10H2,1-3H3.
What are the key properties of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 326.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 105367387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).