9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide

C19H33N3O2 — CID 120988149

IUPAC9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCC(=O)N1CCCCCC1)C2
InChIInChI=1S/C19H33N3O2/c20-18-14-6-5-7-15(18)13-16(12-14)19(24)21-9-8-17(23)22-10-3-1-2-4-11-22/h14-16,18H,1-13,20H2,(H,21,24)
InChIKeyHMRJNODTTFEAFJ-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.05
Rot. Bonds4

About 9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120988149) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120988149
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCC(=O)N1CCCCCC1)C2
InChIInChI=1S/C19H33N3O2/c20-18-14-6-5-7-15(18)13-16(12-14)19(24)21-9-8-17(23)22-10-3-1-2-4-11-22/h14-16,18H,1-13,20H2,(H,21,24)
InChIKeyHMRJNODTTFEAFJ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072
ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120987730
2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975723
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054677
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 106740605
(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 120621777
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986701

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120988149) is 9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)NCCC(=O)N1CCCCCC1)C2.
What is the InChIKey of 9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is HMRJNODTTFEAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c20-18-14-6-5-7-15(18)13-16(12-14)19(24)21-9-8-17(23)22-10-3-1-2-4-11-22/h14-16,18H,1-13,20H2,(H,21,24).
What are the key properties of 9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120988149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).