7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride

C19H37ClN2O2 — CID 119803589

IUPAC7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride
SMILESCCOC1CC(N(C)C(=O)CCCCCCN)C12CCCCC2.Cl
InChIInChI=1S/C19H36N2O2.ClH/c1-3-23-17-15-16(19(17)12-8-6-9-13-19)21(2)18(22)11-7-4-5-10-14-20;/h16-17H,3-15,20H2,1-2H3;1H
InChIKeyCRKSQWBFHPKERQ-UHFFFAOYSA-N
MW360.97 g/mol
LogP3.90
Rot. Bonds9

About 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride

7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride (PubChem CID 119803589) has the molecular formula C19H37ClN2O2 and a molecular weight of 360.97 g/mol. Its IUPAC name is 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride
PubChem CID119803589
Molecular FormulaC19H37ClN2O2
Molecular Weight360.97 g/mol
Exact Mass360.25
IUPAC Name7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride
SMILESCCOC1CC(N(C)C(=O)CCCCCCN)C12CCCCC2.Cl
InChIInChI=1S/C19H36N2O2.ClH/c1-3-23-17-15-16(19(17)12-8-6-9-13-19)21(2)18(22)11-7-4-5-10-14-20;/h16-17H,3-15,20H2,1-2H3;1H
InChIKeyCRKSQWBFHPKERQ-UHFFFAOYSA-N
XLogP3.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.97
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride
CID 119335024
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
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)heptanamide
CID 119805159
4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid
CID 119138143
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N-methyl-2-(methylamino)acetamide
CID 120705060
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 95635324
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 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride (CID 119803589) is 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride is CCOC1CC(N(C)C(=O)CCCCCCN)C12CCCCC2.Cl.
What is the InChIKey of 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride?
The InChIKey is CRKSQWBFHPKERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2.ClH/c1-3-23-17-15-16(19(17)12-8-6-9-13-19)21(2)18(22)11-7-4-5-10-14-20;/h16-17H,3-15,20H2,1-2H3;1H.
What are the key properties of 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride?
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride has a molecular weight of 360.97 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride is sourced from PubChem (CID 119803589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).