2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride

C12H26ClN3O — CID 175148800

IUPAC2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride
SMILESCl.NC(N)C(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C12H25N3O.ClH/c13-12(14)11(10-4-2-1-3-5-10)15-6-8-16-9-7-15;/h10-12H,1-9,13-14H2;1H
InChIKeyANRGWVOXUOSBJS-UHFFFAOYSA-N
MW263.81 g/mol
LogP0.93
Rot. Bonds3

About 2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride

2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride (PubChem CID 175148800) has the molecular formula C12H26ClN3O and a molecular weight of 263.81 g/mol. Its IUPAC name is 2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride
PubChem CID175148800
Molecular FormulaC12H26ClN3O
Molecular Weight263.81 g/mol
Exact Mass263.18
IUPAC Name2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride
SMILESCl.NC(N)C(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C12H25N3O.ClH/c13-12(14)11(10-4-2-1-3-5-10)15-6-8-16-9-7-15;/h10-12H,1-9,13-14H2;1H
InChIKeyANRGWVOXUOSBJS-UHFFFAOYSA-N
XLogP0.93
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine
CID 104746036
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
4-cyclohexyl-3-morpholin-4-ylbutan-2-ol
CID 57140107
ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)
CID 161339699
1-[1-(1-cyclohexylethyl)piperidin-4-yl]ethanamine
CID 63596713
diamino(dimorpholin-4-yl)phosphanium
CID 23415033
(2S)-2-amino-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 83340454
(1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine
CID 102227110
tert-butyl-cyclohexyl-dimorpholin-4-ylphosphanium
CID 146342984
cycloheptyl(cyclohexyl)methanamine
CID 65399873
2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride?
The IUPAC name of 2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride (CID 175148800) is 2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride?
The canonical SMILES for 2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride is Cl.NC(N)C(C1CCCCC1)N1CCOCC1.
What is the InChIKey of 2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride?
The InChIKey is ANRGWVOXUOSBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.ClH/c13-12(14)11(10-4-2-1-3-5-10)15-6-8-16-9-7-15;/h10-12H,1-9,13-14H2;1H.
What are the key properties of 2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride?
2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-morpholin-4-ylethane-1,1-diamine;hydrochloride is sourced from PubChem (CID 175148800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).