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

C12H22BrNO — CID 107407626

IUPAC1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CC2(CBr)CC2)CC1
InChIInChI=1S/C12H22BrNO/c1-11(15)3-2-7-14(8-6-11)10-12(9-13)4-5-12/h15H,2-10H2,1H3
InChIKeyLPZLSUAMXSQISU-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.40
Rot. Bonds3

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

1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol (PubChem CID 107407626) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol
PubChem CID107407626
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CC2(CBr)CC2)CC1
InChIInChI=1S/C12H22BrNO/c1-11(15)3-2-7-14(8-6-11)10-12(9-13)4-5-12/h15H,2-10H2,1H3
InChIKeyLPZLSUAMXSQISU-UHFFFAOYSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol
CID 107407618
1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylazepane
CID 65283132
4-methyl-1-[[1-(sulfanylmethyl)cyclopentyl]methyl]azepan-4-ol
CID 107408990
1-[[1-(bromomethyl)cyclopropyl]methyl]azepane
CID 65013717
1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
CID 130548196
1-[[1-(hydroxymethyl)cycloheptyl]methyl]-4-methylpiperidin-4-ol
CID 81115505
4-[[1-(bromomethyl)cyclopropyl]methyl]-7,7-dimethyl-1,4-thiazepane
CID 107458344
4-methyl-1-(2-methylbutyl)azepan-4-ol
CID 107407764
1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]-4-methylazepan-4-ol
CID 107408681
4-methyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 107407980
1-[[4-(bromomethyl)oxan-4-yl]methyl]pyrrolidine
CID 65004744
1-(3-chloropropyl)-4-methylazepan-4-ol
CID 107407609

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol (CID 107407626) is 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol is CC1(O)CCCN(CC2(CBr)CC2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol?
The InChIKey is LPZLSUAMXSQISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-11(15)3-2-7-14(8-6-11)10-12(9-13)4-5-12/h15H,2-10H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol?
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol has a molecular weight of 276.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107407626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).