1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine

C12H24ClNO — CID 65024496

IUPAC1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
SMILESCC(C)OCCNC1(CCl)CCCCC1
InChIInChI=1S/C12H24ClNO/c1-11(2)15-9-8-14-12(10-13)6-4-3-5-7-12/h11,14H,3-10H2,1-2H3
InChIKeyRWNOJDIETREPNA-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.94
Rot. Bonds6

About 1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine

1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine (PubChem CID 65024496) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
PubChem CID65024496
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
SMILESCC(C)OCCNC1(CCl)CCCCC1
InChIInChI=1S/C12H24ClNO/c1-11(2)15-9-8-14-12(10-13)6-4-3-5-7-12/h11,14H,3-10H2,1-2H3
InChIKeyRWNOJDIETREPNA-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine (CID 65024496) is 1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine is CC(C)OCCNC1(CCl)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The InChIKey is RWNOJDIETREPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-11(2)15-9-8-14-12(10-13)6-4-3-5-7-12/h11,14H,3-10H2,1-2H3.
What are the key properties of 1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine has a molecular weight of 233.78 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 65024496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).