1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C14H26N2O — CID 167316773

IUPAC1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCCCCC[C@@H](C)C12CC1(C)CC(C(N)=O)N2
InChIInChI=1S/C14H26N2O/c1-4-5-6-7-10(2)14-9-13(14,3)8-11(16-14)12(15)17/h10-11,16H,4-9H2,1-3H3,(H2,15,17)/t10-,11?,13?,14?/m1/s1
InChIKeyDWKUXINZBQLHCO-AZAQEYEISA-N
MW238.37 g/mol
LogP2.20
Rot. Bonds6

About 1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 167316773) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID167316773
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCCCCC[C@@H](C)C12CC1(C)CC(C(N)=O)N2
InChIInChI=1S/C14H26N2O/c1-4-5-6-7-10(2)14-9-13(14,3)8-11(16-14)12(15)17/h10-11,16H,4-9H2,1-3H3,(H2,15,17)/t10-,11?,13?,14?/m1/s1
InChIKeyDWKUXINZBQLHCO-AZAQEYEISA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 167316773) is 1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is CCCCC[C@@H](C)C12CC1(C)CC(C(N)=O)N2.
What is the InChIKey of 1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is DWKUXINZBQLHCO-AZAQEYEISA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-5-6-7-10(2)14-9-13(14,3)8-11(16-14)12(15)17/h10-11,16H,4-9H2,1-3H3,(H2,15,17)/t10-,11?,13?,14?/m1/s1.
What are the key properties of 1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-heptan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 167316773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).