3-chloropropylcyclohexane;ethane;1-methylazetidine

C15H32ClN — CID 145242448

IUPAC3-chloropropylcyclohexane;ethane;1-methylazetidine
SMILESCC.CN1CCC1.ClCCCC1CCCCC1
InChIInChI=1S/C9H17Cl.C4H9N.C2H6/c10-8-4-7-9-5-2-1-3-6-9;1-5-3-2-4-5;1-2/h9H,1-8H2;2-4H2,1H3;1-2H3
InChIKeyDXAFXBRBYGHFII-UHFFFAOYSA-N
MW261.88 g/mol
LogP4.93
Rot. Bonds3

About 3-chloropropylcyclohexane;ethane;1-methylazetidine

3-chloropropylcyclohexane;ethane;1-methylazetidine (PubChem CID 145242448) has the molecular formula C15H32ClN and a molecular weight of 261.88 g/mol. Its IUPAC name is 3-chloropropylcyclohexane;ethane;1-methylazetidine.

Molecular Properties

Compound Name3-chloropropylcyclohexane;ethane;1-methylazetidine
PubChem CID145242448
Molecular FormulaC15H32ClN
Molecular Weight261.88 g/mol
Exact Mass261.22
IUPAC Name3-chloropropylcyclohexane;ethane;1-methylazetidine
SMILESCC.CN1CCC1.ClCCCC1CCCCC1
InChIInChI=1S/C9H17Cl.C4H9N.C2H6/c10-8-4-7-9-5-2-1-3-6-9;1-5-3-2-4-5;1-2/h9H,1-8H2;2-4H2,1H3;1-2H3
InChIKeyDXAFXBRBYGHFII-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.88
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloropropyl)-1-methylpiperidine;hydrochloride
CID 154791310
1-(4-chlorobutyl)-4-(4-cyclohexylbutyl)cyclohexane
CID 57205272
5-chloropentylcyclopentane
CID 91621144
4-(2-chloroethyl)-1-methylpiperidine
CID 22568277
1-(2-chloroethyl)-4-(2-cyclohexylethyl)-1,4-diazepane
CID 114192641
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
1-(3-cyclohexylpropyl)piperidine
CID 21333467
3-cyclobutylpropylcyclohexane
CID 54165208
3-cyclohexylpropan-1-amine;ethane
CID 143945055
1-(3-chloropropyl)-4-methylcyclohexane
CID 64775932
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422

Frequently Asked Questions

What is the IUPAC name of 3-chloropropylcyclohexane;ethane;1-methylazetidine?
The IUPAC name of 3-chloropropylcyclohexane;ethane;1-methylazetidine (CID 145242448) is 3-chloropropylcyclohexane;ethane;1-methylazetidine.
What is the SMILES notation for 3-chloropropylcyclohexane;ethane;1-methylazetidine?
The canonical SMILES for 3-chloropropylcyclohexane;ethane;1-methylazetidine is CC.CN1CCC1.ClCCCC1CCCCC1.
What is the InChIKey of 3-chloropropylcyclohexane;ethane;1-methylazetidine?
The InChIKey is DXAFXBRBYGHFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl.C4H9N.C2H6/c10-8-4-7-9-5-2-1-3-6-9;1-5-3-2-4-5;1-2/h9H,1-8H2;2-4H2,1H3;1-2H3.
What are the key properties of 3-chloropropylcyclohexane;ethane;1-methylazetidine?
3-chloropropylcyclohexane;ethane;1-methylazetidine has a molecular weight of 261.88 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropylcyclohexane;ethane;1-methylazetidine is sourced from PubChem (CID 145242448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).