1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol

C10H17Cl2NO — CID 79167559

IUPAC1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC(Cl)=CCl)CCCCC1
InChIInChI=1S/C10H17Cl2NO/c11-6-9(12)7-13-8-10(14)4-2-1-3-5-10/h6,13-14H,1-5,7-8H2
InChIKeyRKYSGBKIIZLQCZ-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.59
Rot. Bonds4

About 1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol

1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol (PubChem CID 79167559) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is 1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol
PubChem CID79167559
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC Name1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC(Cl)=CCl)CCCCC1
InChIInChI=1S/C10H17Cl2NO/c11-6-9(12)7-13-8-10(14)4-2-1-3-5-10/h6,13-14H,1-5,7-8H2
InChIKeyRKYSGBKIIZLQCZ-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide
CID 77056758
N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine
CID 104865691
N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60909353
1-[(hept-6-enylamino)methyl]cycloheptan-1-ol
CID 107006904
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 106175972
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
1-(hydrazinylmethyl)cyclohexan-1-ol
CID 65213347
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[(prop-2-ynylamino)methyl]cyclopentan-1-ol
CID 65105370
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol (CID 79167559) is 1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol is OC1(CNCC(Cl)=CCl)CCCCC1.
What is the InChIKey of 1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is RKYSGBKIIZLQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c11-6-9(12)7-13-8-10(14)4-2-1-3-5-10/h6,13-14H,1-5,7-8H2.
What are the key properties of 1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol?
1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol has a molecular weight of 238.16 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 79167559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).