3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide

C12H21N3O — CID 62742466

IUPAC3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1CCCCCC1C#N
InChIInChI=1S/C12H21N3O/c1-14-12(16)7-8-15-11-6-4-2-3-5-10(11)9-13/h10-11,15H,2-8H2,1H3,(H,14,16)
InChIKeyFAVXNDWHGLPBND-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.18
Rot. Bonds4

About 3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide

3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide (PubChem CID 62742466) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
PubChem CID62742466
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1CCCCCC1C#N
InChIInChI=1S/C12H21N3O/c1-14-12(16)7-8-15-11-6-4-2-3-5-10(11)9-13/h10-11,15H,2-8H2,1H3,(H,14,16)
InChIKeyFAVXNDWHGLPBND-UHFFFAOYSA-N
XLogP1.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide (CID 62742466) is 3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide is CNC(=O)CCNC1CCCCCC1C#N.
What is the InChIKey of 3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide?
The InChIKey is FAVXNDWHGLPBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-12(16)7-8-15-11-6-4-2-3-5-10(11)9-13/h10-11,15H,2-8H2,1H3,(H,14,16).
What are the key properties of 3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide?
3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide is sourced from PubChem (CID 62742466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).