1-chloro-3-(cyclooctylamino)propan-2-ol

C11H22ClNO — CID 10443428

IUPAC1-chloro-3-(cyclooctylamino)propan-2-ol
SMILESOC(CCl)CNC1CCCCCCC1
InChIInChI=1S/C11H22ClNO/c12-8-11(14)9-13-10-6-4-2-1-3-5-7-10/h10-11,13-14H,1-9H2
InChIKeyVWMZEXICWSQAPU-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.29
Rot. Bonds4

About 1-chloro-3-(cyclooctylamino)propan-2-ol

1-chloro-3-(cyclooctylamino)propan-2-ol (PubChem CID 10443428) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 1-chloro-3-(cyclooctylamino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(cyclooctylamino)propan-2-ol
PubChem CID10443428
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name1-chloro-3-(cyclooctylamino)propan-2-ol
SMILESOC(CCl)CNC1CCCCCCC1
InChIInChI=1S/C11H22ClNO/c12-8-11(14)9-13-10-6-4-2-1-3-5-7-10/h10-11,13-14H,1-9H2
InChIKeyVWMZEXICWSQAPU-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
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1-(cycloheptylamino)propan-2-ol
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1-(cyclooctylamino)propan-2-ol
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1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
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1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-(cyclobutylamino)butan-2-ol
CID 62416322
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
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CID 60635542

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(cyclooctylamino)propan-2-ol?
The IUPAC name of 1-chloro-3-(cyclooctylamino)propan-2-ol (CID 10443428) is 1-chloro-3-(cyclooctylamino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(cyclooctylamino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(cyclooctylamino)propan-2-ol is OC(CCl)CNC1CCCCCCC1.
What is the InChIKey of 1-chloro-3-(cyclooctylamino)propan-2-ol?
The InChIKey is VWMZEXICWSQAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c12-8-11(14)9-13-10-6-4-2-1-3-5-7-10/h10-11,13-14H,1-9H2.
What are the key properties of 1-chloro-3-(cyclooctylamino)propan-2-ol?
1-chloro-3-(cyclooctylamino)propan-2-ol has a molecular weight of 219.76 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(cyclooctylamino)propan-2-ol is sourced from PubChem (CID 10443428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).