N,N-dimethyl-1,4-diazepane-6-carboxamide

C8H17N3O — CID 23090095

IUPACN,N-dimethyl-1,4-diazepane-6-carboxamide
SMILESCN(C)C(=O)C1CNCCNC1
InChIInChI=1S/C8H17N3O/c1-11(2)8(12)7-5-9-3-4-10-6-7/h7,9-10H,3-6H2,1-2H3
InChIKeyDHVMYLNTLIWOCG-UHFFFAOYSA-N
MW171.24 g/mol
LogP-1.12
Rot. Bonds1

About N,N-dimethyl-1,4-diazepane-6-carboxamide

N,N-dimethyl-1,4-diazepane-6-carboxamide (PubChem CID 23090095) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N-dimethyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1,4-diazepane-6-carboxamide
PubChem CID23090095
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN,N-dimethyl-1,4-diazepane-6-carboxamide
SMILESCN(C)C(=O)C1CNCCNC1
InChIInChI=1S/C8H17N3O/c1-11(2)8(12)7-5-9-3-4-10-6-7/h7,9-10H,3-6H2,1-2H3
InChIKeyDHVMYLNTLIWOCG-UHFFFAOYSA-N
XLogP-1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,4-diazepane-6-carboxamide?
The IUPAC name of N,N-dimethyl-1,4-diazepane-6-carboxamide (CID 23090095) is N,N-dimethyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for N,N-dimethyl-1,4-diazepane-6-carboxamide is CN(C)C(=O)C1CNCCNC1.
What is the InChIKey of N,N-dimethyl-1,4-diazepane-6-carboxamide?
The InChIKey is DHVMYLNTLIWOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-11(2)8(12)7-5-9-3-4-10-6-7/h7,9-10H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-1,4-diazepane-6-carboxamide?
N,N-dimethyl-1,4-diazepane-6-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 23090095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).