3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C14H21Br2N3 — CID 106620585

IUPAC3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCC(C)CN(CC1CCCN1)c1ncc(Br)cc1Br
InChIInChI=1S/C14H21Br2N3/c1-10(2)8-19(9-12-4-3-5-17-12)14-13(16)6-11(15)7-18-14/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyVNTSSCVMKKZXHO-UHFFFAOYSA-N
MW391.15 g/mol
LogP3.82
Rot. Bonds5

About 3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106620585) has the molecular formula C14H21Br2N3 and a molecular weight of 391.15 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106620585
Molecular FormulaC14H21Br2N3
Molecular Weight391.15 g/mol
Exact Mass389.01
IUPAC Name3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCC(C)CN(CC1CCCN1)c1ncc(Br)cc1Br
InChIInChI=1S/C14H21Br2N3/c1-10(2)8-19(9-12-4-3-5-17-12)14-13(16)6-11(15)7-18-14/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyVNTSSCVMKKZXHO-UHFFFAOYSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998331
5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796659
5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642340
5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021
6-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620787
3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyrazine-2-carboxamide
CID 106620765
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
CID 106620526
3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620786
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106620797
6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620698
N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106973354
5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611118

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106620585) is 3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is CC(C)CN(CC1CCCN1)c1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is VNTSSCVMKKZXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2N3/c1-10(2)8-19(9-12-4-3-5-17-12)14-13(16)6-11(15)7-18-14/h6-7,10,12,17H,3-5,8-9H2,1-2H3.
What are the key properties of 3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 391.15 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106620585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).