1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol

C14H26BrNO — CID 107407618

IUPAC1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CC2(CBr)CCCC2)CC1
InChIInChI=1S/C14H26BrNO/c1-13(17)5-4-9-16(10-8-13)12-14(11-15)6-2-3-7-14/h17H,2-12H2,1H3
InChIKeyPJQWHJTWTYTDBO-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.18
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol

1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol (PubChem CID 107407618) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol
PubChem CID107407618
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CC2(CBr)CCCC2)CC1
InChIInChI=1S/C14H26BrNO/c1-13(17)5-4-9-16(10-8-13)12-14(11-15)6-2-3-7-14/h17H,2-12H2,1H3
InChIKeyPJQWHJTWTYTDBO-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol
CID 107407626
4-methyl-1-[[1-(sulfanylmethyl)cyclopentyl]methyl]azepan-4-ol
CID 107408990
1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
CID 130548196
1-[[1-(hydroxymethyl)cycloheptyl]methyl]-4-methylpiperidin-4-ol
CID 81115505
1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylazepane
CID 65283132
1-[[1-(bromomethyl)cyclopropyl]methyl]azepane
CID 65013717
1-[4-[[1-(bromomethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 65009984
1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 65001565
4-[[1-(bromomethyl)cyclopentyl]methyl]-1,4-oxazepane
CID 65002858
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-thiazepane
CID 65002174
4-methyl-1-(2-methylbutyl)azepan-4-ol
CID 107407764
1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine
CID 65009981

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol (CID 107407618) is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol is CC1(O)CCCN(CC2(CBr)CCCC2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol?
The InChIKey is PJQWHJTWTYTDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-13(17)5-4-9-16(10-8-13)12-14(11-15)6-2-3-7-14/h17H,2-12H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol?
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol has a molecular weight of 304.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107407618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).