1-(3-chloropropyl)-4-methylazepan-4-ol

C10H20ClNO — CID 107407609

IUPAC1-(3-chloropropyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCCCl)CC1
InChIInChI=1S/C10H20ClNO/c1-10(13)4-2-7-12(9-5-10)8-3-6-11/h13H,2-9H2,1H3
InChIKeyJKCGOMHBGIAOHU-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.85
Rot. Bonds3

About 1-(3-chloropropyl)-4-methylazepan-4-ol

1-(3-chloropropyl)-4-methylazepan-4-ol (PubChem CID 107407609) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 1-(3-chloropropyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(3-chloropropyl)-4-methylazepan-4-ol
PubChem CID107407609
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name1-(3-chloropropyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCCCl)CC1
InChIInChI=1S/C10H20ClNO/c1-10(13)4-2-7-12(9-5-10)8-3-6-11/h13H,2-9H2,1H3
InChIKeyJKCGOMHBGIAOHU-UHFFFAOYSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.85
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

5-(4-hydroxy-4-methylazepan-1-yl)pentanoic acid
CID 107405145
5-(4-hydroxy-4-methylazepan-1-yl)pentanenitrile
CID 107404558
1-[3-(2-methoxyethoxy)propyl]-4-methylazepan-4-ol
CID 107408407
4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one
CID 107405316
4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol
CID 107408049
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990
1-(5-chloro-3-methylpentyl)-4-methylpiperidin-4-ol
CID 81103927
N-[2-(4-hydroxy-4-methylazepan-1-yl)ethyl]acetamide
CID 107408085
4-methyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 107407980
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide
CID 107408256
4-methyl-1-(2-methylbutyl)azepan-4-ol
CID 107407764

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(3-chloropropyl)-4-methylazepan-4-ol (CID 107407609) is 1-(3-chloropropyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(3-chloropropyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(3-chloropropyl)-4-methylazepan-4-ol is CC1(O)CCCN(CCCCl)CC1.
What is the InChIKey of 1-(3-chloropropyl)-4-methylazepan-4-ol?
The InChIKey is JKCGOMHBGIAOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-10(13)4-2-7-12(9-5-10)8-3-6-11/h13H,2-9H2,1H3.
What are the key properties of 1-(3-chloropropyl)-4-methylazepan-4-ol?
1-(3-chloropropyl)-4-methylazepan-4-ol has a molecular weight of 205.73 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107407609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).