1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide

C14H25N3O — CID 82938688

IUPAC1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
SMILESCC(CN(C)C)NC(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C14H25N3O/c1-12(10-17(2)3)16-13(18)14(11-15)8-6-4-5-7-9-14/h12H,4-10H2,1-3H3,(H,16,18)
InChIKeyAKGDHVLUGCQABT-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.92
Rot. Bonds4

About 1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide

1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide (PubChem CID 82938688) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
PubChem CID82938688
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
SMILESCC(CN(C)C)NC(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C14H25N3O/c1-12(10-17(2)3)16-13(18)14(11-15)8-6-4-5-7-9-14/h12H,4-10H2,1-3H3,(H,16,18)
InChIKeyAKGDHVLUGCQABT-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide?
The IUPAC name of 1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide (CID 82938688) is 1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide is CC(CN(C)C)NC(=O)C1(C#N)CCCCCC1.
What is the InChIKey of 1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide?
The InChIKey is AKGDHVLUGCQABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(10-17(2)3)16-13(18)14(11-15)8-6-4-5-7-9-14/h12H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide?
1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide is sourced from PubChem (CID 82938688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).