9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C16H29ClN2O — CID 120989098

IUPAC9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CC2CCCC(C1)C2N)C1CC1.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-2-8-18(14-6-7-14)16(19)13-9-11-4-3-5-12(10-13)15(11)17;/h11-15H,2-10,17H2,1H3;1H
InChIKeyUHUIQDIZPVGKRN-UHFFFAOYSA-N
MW300.87 g/mol
LogP2.96
Rot. Bonds4

About 9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120989098) has the molecular formula C16H29ClN2O and a molecular weight of 300.87 g/mol. Its IUPAC name is 9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120989098
Molecular FormulaC16H29ClN2O
Molecular Weight300.87 g/mol
Exact Mass300.20
IUPAC Name9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CC2CCCC(C1)C2N)C1CC1.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-2-8-18(14-6-7-14)16(19)13-9-11-4-3-5-12(10-13)15(11)17;/h11-15H,2-10,17H2,1H3;1H
InChIKeyUHUIQDIZPVGKRN-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984755
N-(4-aminocyclohexyl)-N-propylcyclobutanecarboxamide
CID 79111722
9-amino-N-cyclopentyl-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992749
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453
9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide
CID 120993976
9-amino-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992814
9-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984807
N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide
CID 79112456
9-amino-N-(cyclopropylmethyl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989667
9-amino-N-(cyclobutylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989590
9-amino-N-(4-methoxycyclohexyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120990005
9-amino-N-methyl-N-(thiolan-3-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983130

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120989098) is 9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCCN(C(=O)C1CC2CCCC(C1)C2N)C1CC1.Cl.
What is the InChIKey of 9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is UHUIQDIZPVGKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.ClH/c1-2-8-18(14-6-7-14)16(19)13-9-11-4-3-5-12(10-13)15(11)17;/h11-15H,2-10,17H2,1H3;1H.
What are the key properties of 9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 300.87 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120989098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).