9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C16H30ClN3O2 — CID 120984824

IUPAC9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCNC(=O)CN(CC)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-18-14(20)10-19(4-2)16(21)13-8-11-6-5-7-12(9-13)15(11)17;/h11-13,15H,3-10,17H2,1-2H3,(H,18,20);1H
InChIKeyGIZKXDGFFJFRTM-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.55
Rot. Bonds5

About 9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120984824) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120984824
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCNC(=O)CN(CC)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-18-14(20)10-19(4-2)16(21)13-8-11-6-5-7-12(9-13)15(11)17;/h11-13,15H,3-10,17H2,1-2H3,(H,18,20);1H
InChIKeyGIZKXDGFFJFRTM-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120984824) is 9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCNC(=O)CN(CC)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is GIZKXDGFFJFRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-3-18-14(20)10-19(4-2)16(21)13-8-11-6-5-7-12(9-13)15(11)17;/h11-13,15H,3-10,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120984824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).