9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide

C17H30N2O2 — CID 120990988

IUPAC9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOC1CCCCC1NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C17H30N2O2/c1-21-15-8-3-2-7-14(15)19-17(20)13-9-11-5-4-6-12(10-13)16(11)18/h11-16H,2-10,18H2,1H3,(H,19,20)
InChIKeyNIHJSXXYWOZEAR-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.21
Rot. Bonds3

About 9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120990988) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120990988
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOC1CCCCC1NC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C17H30N2O2/c1-21-15-8-3-2-7-14(15)19-17(20)13-9-11-5-4-6-12(10-13)16(11)18/h11-16H,2-10,18H2,1H3,(H,19,20)
InChIKeyNIHJSXXYWOZEAR-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120990988) is 9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide is COC1CCCCC1NC(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is NIHJSXXYWOZEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-21-15-8-3-2-7-14(15)19-17(20)13-9-11-5-4-6-12(10-13)16(11)18/h11-16H,2-10,18H2,1H3,(H,19,20).
What are the key properties of 9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120990988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).