trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride

C13H28ClN3O — CID 129307500

IUPACtrans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC(C[C@@H]1CCCC[C@@H]1N)CN1CCOCC1
InChIInChI=1S/C13H27N3O.ClH/c14-12(10-16-5-7-17-8-6-16)9-11-3-1-2-4-13(11)15;/h11-13H,1-10,14-15H2;1H/t11-,12?,13-;/m0./s1
InChIKeyYVCOGFYXSAJZPB-YOGGQWRYSA-N
MW277.84 g/mol
LogP0.98
Rot. Bonds4

About trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride

trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride (PubChem CID 129307500) has the molecular formula C13H28ClN3O and a molecular weight of 277.84 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride
PubChem CID129307500
Molecular FormulaC13H28ClN3O
Molecular Weight277.84 g/mol
Exact Mass277.19
IUPAC Nametrans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC(C[C@@H]1CCCC[C@@H]1N)CN1CCOCC1
InChIInChI=1S/C13H27N3O.ClH/c14-12(10-16-5-7-17-8-6-16)9-11-3-1-2-4-13(11)15;/h11-13H,1-10,14-15H2;1H/t11-,12?,13-;/m0./s1
InChIKeyYVCOGFYXSAJZPB-YOGGQWRYSA-N
XLogP0.98
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-morpholin-4-ylpropane-1,2-diamine
CID 50989617
1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine
CID 104746036
1-cyclopentyl-3-pyrrolidin-1-ylpropan-2-amine
CID 82399264
(2S)-4-methyl-1-morpholin-4-ylpentan-2-amine
CID 18649577
3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide
CID 139942487
trans-(1S,2S)-2-(2-amino-3-methoxypropyl)cyclohexan-1-amine
CID 118112378
1-cyclopropyl-3-piperidin-1-ylpropan-2-amine
CID 82407506
1-morpholin-4-ylhexan-2-amine
CID 60852253
4-(cyclohexylmethyl)morpholine
CID 641545
(2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine
CID 22689698
1-cyclopentyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 16958185
1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol
CID 104752821

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride (CID 129307500) is trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride is Cl.NC(C[C@@H]1CCCC[C@@H]1N)CN1CCOCC1.
What is the InChIKey of trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is YVCOGFYXSAJZPB-YOGGQWRYSA-N. The full InChI is InChI=1S/C13H27N3O.ClH/c14-12(10-16-5-7-17-8-6-16)9-11-3-1-2-4-13(11)15;/h11-13H,1-10,14-15H2;1H/t11-,12?,13-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride?
trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 129307500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).