1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride

C12H25Cl2N3O2 — CID 119876411

IUPAC1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCC1(C)COCCN1CCNC(=O)C1(N)CC1.Cl.Cl
InChIInChI=1S/C12H23N3O2.2ClH/c1-11(2)9-17-8-7-15(11)6-5-14-10(16)12(13)3-4-12;;/h3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyABFLILUQZUAOPS-UHFFFAOYSA-N
MW314.26 g/mol
LogP0.55
Rot. Bonds4

About 1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119876411) has the molecular formula C12H25Cl2N3O2 and a molecular weight of 314.26 g/mol. Its IUPAC name is 1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119876411
Molecular FormulaC12H25Cl2N3O2
Molecular Weight314.26 g/mol
Exact Mass313.13
IUPAC Name1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCC1(C)COCCN1CCNC(=O)C1(N)CC1.Cl.Cl
InChIInChI=1S/C12H23N3O2.2ClH/c1-11(2)9-17-8-7-15(11)6-5-14-10(16)12(13)3-4-12;;/h3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyABFLILUQZUAOPS-UHFFFAOYSA-N
XLogP0.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119876411) is 1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride is CC1(C)COCCN1CCNC(=O)C1(N)CC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is ABFLILUQZUAOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.2ClH/c1-11(2)9-17-8-7-15(11)6-5-14-10(16)12(13)3-4-12;;/h3-9,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 314.26 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119876411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).