N,N,4-trimethyl-1,4-diazepane-1-carboxamide

C9H19N3O — CID 59786622

IUPACN,N,4-trimethyl-1,4-diazepane-1-carboxamide
SMILESCN1CCCN(C(=O)N(C)C)CC1
InChIInChI=1S/C9H19N3O/c1-10(2)9(13)12-6-4-5-11(3)7-8-12/h4-8H2,1-3H3
InChIKeyMKYMXDDUIISFBA-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.31
Rot. Bonds

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

N,N,4-trimethyl-1,4-diazepane-1-carboxamide (PubChem CID 59786622) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N,N,4-trimethyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-1,4-diazepane-1-carboxamide
PubChem CID59786622
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN,N,4-trimethyl-1,4-diazepane-1-carboxamide
SMILESCN1CCCN(C(=O)N(C)C)CC1
InChIInChI=1S/C9H19N3O/c1-10(2)9(13)12-6-4-5-11(3)7-8-12/h4-8H2,1-3H3
InChIKeyMKYMXDDUIISFBA-UHFFFAOYSA-N
XLogP0.31
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N,N,4-trimethyl-1,4-diazepane-1-carboxamide (CID 59786622) is N,N,4-trimethyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N,N,4-trimethyl-1,4-diazepane-1-carboxamide is CN1CCCN(C(=O)N(C)C)CC1.
What is the InChIKey of N,N,4-trimethyl-1,4-diazepane-1-carboxamide?
The InChIKey is MKYMXDDUIISFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-10(2)9(13)12-6-4-5-11(3)7-8-12/h4-8H2,1-3H3.
What are the key properties of N,N,4-trimethyl-1,4-diazepane-1-carboxamide?
N,N,4-trimethyl-1,4-diazepane-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 59786622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).