4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride

C16H31ClN2O2 — CID 119335024

IUPAC4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride
SMILESCCOC1CC(N(C)C(=O)CCCN)C12CCCCC2.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-20-14-12-13(16(14)9-5-4-6-10-16)18(2)15(19)8-7-11-17;/h13-14H,3-12,17H2,1-2H3;1H
InChIKeyFANPQHIRKSHRDE-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.73
Rot. Bonds6

About 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride

4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride (PubChem CID 119335024) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride
PubChem CID119335024
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride
SMILESCCOC1CC(N(C)C(=O)CCCN)C12CCCCC2.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-20-14-12-13(16(14)9-5-4-6-10-16)18(2)15(19)8-7-11-17;/h13-14H,3-12,17H2,1-2H3;1H
InChIKeyFANPQHIRKSHRDE-UHFFFAOYSA-N
XLogP2.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride
CID 119803589
2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpentanamide;hydrochloride
CID 120563393
(2S)-2-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylpropanamide;hydrochloride
CID 119333090
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N-methyl-2-(methylamino)acetamide
CID 120705060
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119343546
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 95635324
4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid
CID 119138143
2-(cyclopropylmethylamino)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methylacetamide
CID 119800300
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186359
2-(1,3-dioxan-2-yl)-N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methylacetamide
CID 124740197
2-(1,3-dioxan-2-yl)-N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methylacetamide
CID 124740198

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride (CID 119335024) is 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride is CCOC1CC(N(C)C(=O)CCCN)C12CCCCC2.Cl.
What is the InChIKey of 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride?
The InChIKey is FANPQHIRKSHRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-3-20-14-12-13(16(14)9-5-4-6-10-16)18(2)15(19)8-7-11-17;/h13-14H,3-12,17H2,1-2H3;1H.
What are the key properties of 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride?
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119335024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).