(1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C10H18N2O — CID 131114330

IUPAC(1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)N(C)C(=O)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C10H18N2O/c1-6(2)12(3)10(13)9-5-7-4-8(7)11-9/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyHAVMHFUURDJSNO-HLTSFMKQSA-N
MW182.27 g/mol
LogP0.60
Rot. Bonds2

About (1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 131114330) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID131114330
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)N(C)C(=O)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C10H18N2O/c1-6(2)12(3)10(13)9-5-7-4-8(7)11-9/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyHAVMHFUURDJSNO-HLTSFMKQSA-N
XLogP0.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

(1R,3S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 134343960
(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 58594265
methyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 43811016
3-amino-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 115161371
N-(2-methoxyethyl)-N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 82949267
N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 79490850
N-(1-methoxypropan-2-yl)-N,4,6-trimethylpiperidine-2-carboxamide
CID 114269603
propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate
CID 168985983
(1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130878717
(2R,5S)-5-[methyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944175
N,3,3-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 130725801
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54999254

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 131114330) is (1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(C)N(C)C(=O)[C@@H]1C[C@H]2C[C@H]2N1.
What is the InChIKey of (1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is HAVMHFUURDJSNO-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6(2)12(3)10(13)9-5-7-4-8(7)11-9/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-N-methyl-N-propan-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 131114330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).