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

C8H17N3O — CID 59680276

IUPACN,4-dimethyl-1,4-diazepane-1-carboxamide
SMILESCNC(=O)N1CCCN(C)CC1
InChIInChI=1S/C8H17N3O/c1-9-8(12)11-5-3-4-10(2)6-7-11/h3-7H2,1-2H3,(H,9,12)
InChIKeyKFCZJTBNVVJPKU-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.04
Rot. Bonds

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

N,4-dimethyl-1,4-diazepane-1-carboxamide (PubChem CID 59680276) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N,4-dimethyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-1,4-diazepane-1-carboxamide
PubChem CID59680276
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN,4-dimethyl-1,4-diazepane-1-carboxamide
SMILESCNC(=O)N1CCCN(C)CC1
InChIInChI=1S/C8H17N3O/c1-9-8(12)11-5-3-4-10(2)6-7-11/h3-7H2,1-2H3,(H,9,12)
InChIKeyKFCZJTBNVVJPKU-UHFFFAOYSA-N
XLogP-0.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N,4-dimethyl-1,4-diazepane-1-carboxamide (CID 59680276) is N,4-dimethyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N,4-dimethyl-1,4-diazepane-1-carboxamide is CNC(=O)N1CCCN(C)CC1.
What is the InChIKey of N,4-dimethyl-1,4-diazepane-1-carboxamide?
The InChIKey is KFCZJTBNVVJPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-9-8(12)11-5-3-4-10(2)6-7-11/h3-7H2,1-2H3,(H,9,12).
What are the key properties of N,4-dimethyl-1,4-diazepane-1-carboxamide?
N,4-dimethyl-1,4-diazepane-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 59680276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).