9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide

C16H26N2O — CID 120993976

IUPAC9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide
SMILESC=CCN(C(=O)C1CC2CCCC(C1)C2N)C1CC1
InChIInChI=1S/C16H26N2O/c1-2-8-18(14-6-7-14)16(19)13-9-11-4-3-5-12(10-13)15(11)17/h2,11-15H,1,3-10,17H2
InChIKeyZKUJSQSVGXVFBH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.32
Rot. Bonds4

About 9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120993976) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120993976
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide
SMILESC=CCN(C(=O)C1CC2CCCC(C1)C2N)C1CC1
InChIInChI=1S/C16H26N2O/c1-2-8-18(14-6-7-14)16(19)13-9-11-4-3-5-12(10-13)15(11)17/h2,11-15H,1,3-10,17H2
InChIKeyZKUJSQSVGXVFBH-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989098
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453
9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985111
9-amino-N-cyclopentyl-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992749
9-amino-N,N-dipropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984755
(3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide
CID 81128987
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
9-amino-N-(cyclopropylmethyl)-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989667
9-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993785
3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
CID 62230761
9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985463

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide (CID 120993976) is 9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide is C=CCN(C(=O)C1CC2CCCC(C1)C2N)C1CC1.
What is the InChIKey of 9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is ZKUJSQSVGXVFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-8-18(14-6-7-14)16(19)13-9-11-4-3-5-12(10-13)15(11)17/h2,11-15H,1,3-10,17H2.
What are the key properties of 9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 2.32, 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-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120993976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).