9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide

C19H33N3O2 — CID 120989830

IUPAC9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(C)C(=O)C1(CNC(=O)C2CC3CCCC(C2)C3N)CCCC1
InChIInChI=1S/C19H33N3O2/c1-22(2)18(24)19(8-3-4-9-19)12-21-17(23)15-10-13-6-5-7-14(11-15)16(13)20/h13-16H,3-12,20H2,1-2H3,(H,21,23)
InChIKeyGBQQFQYMTGMCBO-UHFFFAOYSA-N
MW335.49 g/mol
LogP1.90
Rot. Bonds4

About 9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120989830) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120989830
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(C)C(=O)C1(CNC(=O)C2CC3CCCC(C2)C3N)CCCC1
InChIInChI=1S/C19H33N3O2/c1-22(2)18(24)19(8-3-4-9-19)12-21-17(23)15-10-13-6-5-7-14(11-15)16(13)20/h13-16H,3-12,20H2,1-2H3,(H,21,23)
InChIKeyGBQQFQYMTGMCBO-UHFFFAOYSA-N
XLogP1.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992642
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119325049
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119786154
9-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989527
9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983832
9-amino-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992794
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072
9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987145
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988823

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120989830) is 9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide is CN(C)C(=O)C1(CNC(=O)C2CC3CCCC(C2)C3N)CCCC1.
What is the InChIKey of 9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is GBQQFQYMTGMCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-22(2)18(24)19(8-3-4-9-19)12-21-17(23)15-10-13-6-5-7-14(11-15)16(13)20/h13-16H,3-12,20H2,1-2H3,(H,21,23).
What are the key properties of 9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120989830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).