3-(3-chloroprop-2-enoxy)cyclohexan-1-amine

C9H16ClNO — CID 79465396

IUPAC3-(3-chloroprop-2-enoxy)cyclohexan-1-amine
SMILESNC1CCCC(OCC=CCl)C1
InChIInChI=1S/C9H16ClNO/c10-5-2-6-12-9-4-1-3-8(11)7-9/h2,5,8-9H,1,3-4,6-7,11H2
InChIKeyRBIIEUZRMXALLZ-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.03
Rot. Bonds3

About 3-(3-chloroprop-2-enoxy)cyclohexan-1-amine

3-(3-chloroprop-2-enoxy)cyclohexan-1-amine (PubChem CID 79465396) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 3-(3-chloroprop-2-enoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-chloroprop-2-enoxy)cyclohexan-1-amine
PubChem CID79465396
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name3-(3-chloroprop-2-enoxy)cyclohexan-1-amine
SMILESNC1CCCC(OCC=CCl)C1
InChIInChI=1S/C9H16ClNO/c10-5-2-6-12-9-4-1-3-8(11)7-9/h2,5,8-9H,1,3-4,6-7,11H2
InChIKeyRBIIEUZRMXALLZ-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroprop-2-enoxy)cyclohexan-1-amine?
The IUPAC name of 3-(3-chloroprop-2-enoxy)cyclohexan-1-amine (CID 79465396) is 3-(3-chloroprop-2-enoxy)cyclohexan-1-amine.
What is the SMILES notation for 3-(3-chloroprop-2-enoxy)cyclohexan-1-amine?
The canonical SMILES for 3-(3-chloroprop-2-enoxy)cyclohexan-1-amine is NC1CCCC(OCC=CCl)C1.
What is the InChIKey of 3-(3-chloroprop-2-enoxy)cyclohexan-1-amine?
The InChIKey is RBIIEUZRMXALLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-5-2-6-12-9-4-1-3-8(11)7-9/h2,5,8-9H,1,3-4,6-7,11H2.
What are the key properties of 3-(3-chloroprop-2-enoxy)cyclohexan-1-amine?
3-(3-chloroprop-2-enoxy)cyclohexan-1-amine has a molecular weight of 189.69 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroprop-2-enoxy)cyclohexan-1-amine is sourced from PubChem (CID 79465396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).