N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine

C11H20ClNO — CID 65024772

IUPACN-[1-(chloromethyl)cyclohexyl]oxolan-3-amine
SMILESClCC1(NC2CCOC2)CCCCC1
InChIInChI=1S/C11H20ClNO/c12-9-11(5-2-1-3-6-11)13-10-4-7-14-8-10/h10,13H,1-9H2
InChIKeyCLIACGMNSIIDLS-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.31
Rot. Bonds3

About N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine

N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine (PubChem CID 65024772) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]oxolan-3-amine
PubChem CID65024772
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-[1-(chloromethyl)cyclohexyl]oxolan-3-amine
SMILESClCC1(NC2CCOC2)CCCCC1
InChIInChI=1S/C11H20ClNO/c12-9-11(5-2-1-3-6-11)13-10-4-7-14-8-10/h10,13H,1-9H2
InChIKeyCLIACGMNSIIDLS-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine (CID 65024772) is N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine is ClCC1(NC2CCOC2)CCCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine?
The InChIKey is CLIACGMNSIIDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-9-11(5-2-1-3-6-11)13-10-4-7-14-8-10/h10,13H,1-9H2.
What are the key properties of N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine?
N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine has a molecular weight of 217.74 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine is sourced from PubChem (CID 65024772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).