9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide

C16H30N2O — CID 120984755

IUPAC9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C16H30N2O/c1-3-8-18(9-4-2)16(19)14-10-12-6-5-7-13(11-14)15(12)17/h12-15H,3-11,17H2,1-2H3
InChIKeyXRYRZVODQZVYMW-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds5

About 9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide

9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120984755) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120984755
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C16H30N2O/c1-3-8-18(9-4-2)16(19)14-10-12-6-5-7-13(11-14)15(12)17/h12-15H,3-11,17H2,1-2H3
InChIKeyXRYRZVODQZVYMW-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453
9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989098
9-amino-N-(cyclopropylmethyl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989667
9-amino-N-cyclopentyl-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992749
9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984824
9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983152
9-amino-N-(cyclobutylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989590
9-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984156
9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984807
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide
CID 62776151

Frequently Asked Questions

What is the IUPAC name of 9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide (CID 120984755) is 9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide is CCCN(CCC)C(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is XRYRZVODQZVYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-8-18(9-4-2)16(19)14-10-12-6-5-7-13(11-14)15(12)17/h12-15H,3-11,17H2,1-2H3.
What are the key properties of 9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120984755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).