9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide

C18H32N2O2 — CID 120990005

IUPAC9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCOC1CCC(N(C)C(=O)C2CC3CCCC(C2)C3N)CC1
InChIInChI=1S/C18H32N2O2/c1-20(15-6-8-16(22-2)9-7-15)18(21)14-10-12-4-3-5-13(11-14)17(12)19/h12-17H,3-11,19H2,1-2H3
InChIKeyTWGATUSVXTXSTF-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.56
Rot. Bonds3

About 9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120990005) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120990005
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCOC1CCC(N(C)C(=O)C2CC3CCCC(C2)C3N)CC1
InChIInChI=1S/C18H32N2O2/c1-20(15-6-8-16(22-2)9-7-15)18(21)14-10-12-4-3-5-13(11-14)17(12)19/h12-17H,3-11,19H2,1-2H3
InChIKeyTWGATUSVXTXSTF-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-cyclopentyl-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992749
9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983130
9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989098
9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984755
9-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984156
9-amino-N-(1,3-dimethylpiperidin-4-yl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120990710
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453
9-amino-N-(cyclobutylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989590
(9-amino-3-bicyclo[3.3.1]nonanyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 120991765
9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide
CID 120993976
3-amino-N-cyclooctyl-N-methylcyclopentane-1-carboxamide
CID 119763854
3-amino-N-cyclopentyl-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119696942

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide (CID 120990005) is 9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide is COC1CCC(N(C)C(=O)C2CC3CCCC(C2)C3N)CC1.
What is the InChIKey of 9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is TWGATUSVXTXSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-20(15-6-8-16(22-2)9-7-15)18(21)14-10-12-4-3-5-13(11-14)17(12)19/h12-17H,3-11,19H2,1-2H3.
What are the key properties of 9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120990005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).