(1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C11H19N3O — CID 97381218

IUPAC(1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESO=C(NC1CC1)N1CC[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C11H19N3O/c15-11(13-8-1-2-8)14-6-5-9-3-4-10(7-14)12-9/h8-10,12H,1-7H2,(H,13,15)/t9-,10+/m1/s1
InChIKeyQAIWQZPTQOJXEL-ZJUUUORDSA-N
MW209.29 g/mol
LogP0.68
Rot. Bonds1

About (1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

(1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 97381218) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID97381218
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESO=C(NC1CC1)N1CC[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C11H19N3O/c15-11(13-8-1-2-8)14-6-5-9-3-4-10(7-14)12-9/h8-10,12H,1-7H2,(H,13,15)/t9-,10+/m1/s1
InChIKeyQAIWQZPTQOJXEL-ZJUUUORDSA-N
XLogP0.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide
CID 62916085
2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide
CID 119637051
1-cyclopropyl-3-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]urea;hydrochloride
CID 119639329
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2,2,2-trifluoroethanone
CID 81482887
N-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114501609
tert-butyl (1S,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 98052851
N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 155101817
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-fluorophenyl)methanone;hydrochloride
CID 86780037
6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119635975
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride
CID 119635654
(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
CID 115301653
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of (1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 97381218) is (1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for (1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is O=C(NC1CC1)N1CC[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is QAIWQZPTQOJXEL-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19N3O/c15-11(13-8-1-2-8)14-6-5-9-3-4-10(7-14)12-9/h8-10,12H,1-7H2,(H,13,15)/t9-,10+/m1/s1.
What are the key properties of (1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
(1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 97381218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).