2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform

C11H23Cl3N2 — CID 175025312

IUPAC2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform
SMILESClC(Cl)Cl.NCCC1(CCN)CCCCC1
InChIInChI=1S/C10H22N2.CHCl3/c11-8-6-10(7-9-12)4-2-1-3-5-10;2-1(3)4/h1-9,11-12H2;1H
InChIKeyYZYKHVGSBIFPNV-UHFFFAOYSA-N
MW289.68 g/mol
LogP3.62
Rot. Bonds4

About 2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform

2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform (PubChem CID 175025312) has the molecular formula C11H23Cl3N2 and a molecular weight of 289.68 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform
PubChem CID175025312
Molecular FormulaC11H23Cl3N2
Molecular Weight289.68 g/mol
Exact Mass288.09
IUPAC Name2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform
SMILESClC(Cl)Cl.NCCC1(CCN)CCCCC1
InChIInChI=1S/C10H22N2.CHCl3/c11-8-6-10(7-9-12)4-2-1-3-5-10;2-1(3)4/h1-9,11-12H2;1H
InChIKeyYZYKHVGSBIFPNV-UHFFFAOYSA-N
XLogP3.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-iodoethyl)cyclohexyl]ethanamine
CID 90084213
3-[1-(2-aminoethyl)cyclobutyl]propan-1-amine
CID 140811736
2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine
CID 83818947
[1-(chloromethyl)cyclohexyl]methanamine
CID 55255403
2-[1-(5-iminopentyl)cyclohexyl]ethanamine
CID 174474886
2-[1-[2-(3-chlorothiophen-2-yl)ethyl]cyclohexyl]ethanamine
CID 80531724
2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine
CID 65305933
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859
2-[1-(2-hydroxyethyl)cyclodecyl]ethanol
CID 18618783
2-[1-(2-hydroxyethyl)cyclononadecyl]ethanol
CID 150954870
2-[1-[2-(2,4,6-trimethylphenyl)ethyl]cyclopentyl]ethanamine
CID 65300447
2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine
CID 102765261

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform?
The IUPAC name of 2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform (CID 175025312) is 2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform.
What is the SMILES notation for 2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform?
The canonical SMILES for 2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform is ClC(Cl)Cl.NCCC1(CCN)CCCCC1.
What is the InChIKey of 2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform?
The InChIKey is YZYKHVGSBIFPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.CHCl3/c11-8-6-10(7-9-12)4-2-1-3-5-10;2-1(3)4/h1-9,11-12H2;1H.
What are the key properties of 2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform?
2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform has a molecular weight of 289.68 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform is sourced from PubChem (CID 175025312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).