1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol

C12H17BrN2O — CID 114952107

IUPAC1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ncccc1Br
InChIInChI=1S/C12H17BrN2O/c1-15(9-12(16)6-2-3-7-12)11-10(13)5-4-8-14-11/h4-5,8,16H,2-3,6-7,9H2,1H3
InChIKeyZHNDMCKYNTUUQH-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.59
Rot. Bonds3

About 1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol

1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114952107) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114952107
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ncccc1Br
InChIInChI=1S/C12H17BrN2O/c1-15(9-12(16)6-2-3-7-12)11-10(13)5-4-8-14-11/h4-5,8,16H,2-3,6-7,9H2,1H3
InChIKeyZHNDMCKYNTUUQH-UHFFFAOYSA-N
XLogP2.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548
1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114072836
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61374673
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 106796746
1-cyclopropyl-3-[(1-hydroxycyclopentyl)methyl-methylamino]pyrazin-2-one
CID 115917456
3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 61428057
3-[(3-bromo-2-pyridinyl)-methylamino]propanethioamide
CID 61373156
3-bromo-N-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 61373185
1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951033
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153
1-[[imidazo[1,2-a]pyridin-5-yl(methyl)amino]methyl]cyclopentan-1-ol
CID 102626671
1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 107542282

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol (CID 114952107) is 1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1ncccc1Br.
What is the InChIKey of 1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is ZHNDMCKYNTUUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-15(9-12(16)6-2-3-7-12)11-10(13)5-4-8-14-11/h4-5,8,16H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 285.18 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114952107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).