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

C10H20BrNO2 — CID 114952397

IUPAC1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC(O)CBr)CC1(O)CCCC1
InChIInChI=1S/C10H20BrNO2/c1-12(7-9(13)6-11)8-10(14)4-2-3-5-10/h9,13-14H,2-8H2,1H3
InChIKeyCYDGRFRLHLNCRT-UHFFFAOYSA-N
MW266.18 g/mol
LogP0.98
Rot. Bonds5

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

1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114952397) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114952397
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC(O)CBr)CC1(O)CCCC1
InChIInChI=1S/C10H20BrNO2/c1-12(7-9(13)6-11)8-10(14)4-2-3-5-10/h9,13-14H,2-8H2,1H3
InChIKeyCYDGRFRLHLNCRT-UHFFFAOYSA-N
XLogP0.98
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol
CID 114952421
ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate
CID 114950146
methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate
CID 65213091
1-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-ol
CID 65212839
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol
CID 114951900
1-[[methyl-[2-(propan-2-ylamino)ethyl]amino]methyl]cyclopentan-1-ol
CID 114952468
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one
CID 114953371
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 114948694
1-[[dodecyl(methyl)amino]methyl]cyclopentan-1-ol
CID 114952592
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol (CID 114952397) is 1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol is CN(CC(O)CBr)CC1(O)CCCC1.
What is the InChIKey of 1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is CYDGRFRLHLNCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-12(7-9(13)6-11)8-10(14)4-2-3-5-10/h9,13-14H,2-8H2,1H3.
What are the key properties of 1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 266.18 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114952397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).