1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide

C11H21N3O — CID 165462919

IUPAC1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESCC(C)NC(=O)N1CCC2CCC21CN
InChIInChI=1S/C11H21N3O/c1-8(2)13-10(15)14-6-4-9-3-5-11(9,14)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyUXYPCKUYMLMLQY-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.92
Rot. Bonds2

About 1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide

1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide (PubChem CID 165462919) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide
PubChem CID165462919
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESCC(C)NC(=O)N1CCC2CCC21CN
InChIInChI=1S/C11H21N3O/c1-8(2)13-10(15)14-6-4-9-3-5-11(9,14)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyUXYPCKUYMLMLQY-UHFFFAOYSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 110196370
CID 110196370
CID 110196372
CID 110196372
CID 110196371
CID 110196371
CID 71969300
CID 71969300
CID 72023915
CID 72023915
CID 164633952
CID 164633952
CID 129879334
CID 129879334
CID 138016472
CID 138016472
CID 138016483
CID 138016483
CID 138016529
CID 138016529
CID 138016562
CID 138016562
CID 138016565
CID 138016565

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide (CID 165462919) is 1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide is CC(C)NC(=O)N1CCC2CCC21CN.
What is the InChIKey of 1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The InChIKey is UXYPCKUYMLMLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)13-10(15)14-6-4-9-3-5-11(9,14)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,15).
What are the key properties of 1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-propan-2-yl-2-azabicyclo[3.2.0]heptane-2-carboxamide is sourced from PubChem (CID 165462919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).