1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride

C14H29Cl2N3O2 — CID 119879160

IUPAC1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCOCCN1CCC(NC(=O)C2(N)CCCCC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-19-10-9-17-8-5-12(11-17)16-13(18)14(15)6-3-2-4-7-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H
InChIKeyIOFNFWFPHYUUPM-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.33
Rot. Bonds5

About 1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119879160) has the molecular formula C14H29Cl2N3O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119879160
Molecular FormulaC14H29Cl2N3O2
Molecular Weight342.31 g/mol
Exact Mass341.16
IUPAC Name1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCOCCN1CCC(NC(=O)C2(N)CCCCC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-19-10-9-17-8-5-12(11-17)16-13(18)14(15)6-3-2-4-7-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H
InChIKeyIOFNFWFPHYUUPM-UHFFFAOYSA-N
XLogP1.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide
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CID 119879163
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1-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]cyclobutane-1-carboxamide
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2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide
CID 95616399
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
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1-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride (CID 119879160) is 1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride is COCCN1CCC(NC(=O)C2(N)CCCCC2)C1.Cl.Cl.
What is the InChIKey of 1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is IOFNFWFPHYUUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.2ClH/c1-19-10-9-17-8-5-12(11-17)16-13(18)14(15)6-3-2-4-7-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H.
What are the key properties of 1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119879160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).