N,N-dimethylazepane-3-carboxamide

C9H18N2O — CID 83618421

IUPACN,N-dimethylazepane-3-carboxamide
SMILESCN(C)C(=O)C1CCCCNC1
InChIInChI=1S/C9H18N2O/c1-11(2)9(12)8-5-3-4-6-10-7-8/h8,10H,3-7H2,1-2H3
InChIKeySCBPKSADKAFBRP-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds1

About N,N-dimethylazepane-3-carboxamide

N,N-dimethylazepane-3-carboxamide (PubChem CID 83618421) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N,N-dimethylazepane-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethylazepane-3-carboxamide
PubChem CID83618421
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN,N-dimethylazepane-3-carboxamide
SMILESCN(C)C(=O)C1CCCCNC1
InChIInChI=1S/C9H18N2O/c1-11(2)9(12)8-5-3-4-6-10-7-8/h8,10H,3-7H2,1-2H3
InChIKeySCBPKSADKAFBRP-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylazepane-3-carboxamide?
The IUPAC name of N,N-dimethylazepane-3-carboxamide (CID 83618421) is N,N-dimethylazepane-3-carboxamide.
What is the SMILES notation for N,N-dimethylazepane-3-carboxamide?
The canonical SMILES for N,N-dimethylazepane-3-carboxamide is CN(C)C(=O)C1CCCCNC1.
What is the InChIKey of N,N-dimethylazepane-3-carboxamide?
The InChIKey is SCBPKSADKAFBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(2)9(12)8-5-3-4-6-10-7-8/h8,10H,3-7H2,1-2H3.
What are the key properties of N,N-dimethylazepane-3-carboxamide?
N,N-dimethylazepane-3-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylazepane-3-carboxamide is sourced from PubChem (CID 83618421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).