trimethyl-[2-(methylcarbamoylamino)ethyl]azanium

C7H18N3O+ — CID 13379058

IUPACtrimethyl-[2-(methylcarbamoylamino)ethyl]azanium
SMILESCNC(=O)NCC[N+](C)(C)C
InChIInChI=1S/C7H17N3O/c1-8-7(11)9-5-6-10(2,3)4/h5-6H2,1-4H3,(H-,8,9,11)/p+1
InChIKeyUZGJCWXKVLPMAZ-UHFFFAOYSA-O
MW160.24 g/mol
LogP-0.38
Rot. Bonds3

About trimethyl-[2-(methylcarbamoylamino)ethyl]azanium

trimethyl-[2-(methylcarbamoylamino)ethyl]azanium (PubChem CID 13379058) has the molecular formula C7H18N3O+ and a molecular weight of 160.24 g/mol. Its IUPAC name is trimethyl-[2-(methylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(methylcarbamoylamino)ethyl]azanium
PubChem CID13379058
Molecular FormulaC7H18N3O+
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Nametrimethyl-[2-(methylcarbamoylamino)ethyl]azanium
SMILESCNC(=O)NCC[N+](C)(C)C
InChIInChI=1S/C7H17N3O/c1-8-7(11)9-5-6-10(2,3)4/h5-6H2,1-4H3,(H-,8,9,11)/p+1
InChIKeyUZGJCWXKVLPMAZ-UHFFFAOYSA-O
XLogP-0.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

sym-Diethylurea
CID 12194
N,N-dimethylpiperazine-1-carboxamide hydrochloride
CID 16192652
n,n-Dimethylpiperazine-1-carboxamide
CID 712909
Urea, 1,1,3-triethyl-
CID 29376
N-methylpiperazine-1-carboxamide
CID 11672770
1-Methylimidazolidin-2-one
CID 567600
n-Ethyl-4-methylpiperazine-1-carboxamide
CID 116045
2-Aminoethylurea
CID 458636
N,N-Diethyl-N'-methylurea
CID 135031
N-Ethyl-N'-methylurea
CID 206567
Urea, 1,1-dimethyl-3-ethyl-
CID 210410
N,N-Diethylpiperazine-1-carboxamide
CID 67067

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(methylcarbamoylamino)ethyl]azanium?
The IUPAC name of trimethyl-[2-(methylcarbamoylamino)ethyl]azanium (CID 13379058) is trimethyl-[2-(methylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(methylcarbamoylamino)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(methylcarbamoylamino)ethyl]azanium is CNC(=O)NCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(methylcarbamoylamino)ethyl]azanium?
The InChIKey is UZGJCWXKVLPMAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N3O/c1-8-7(11)9-5-6-10(2,3)4/h5-6H2,1-4H3,(H-,8,9,11)/p+1.
What are the key properties of trimethyl-[2-(methylcarbamoylamino)ethyl]azanium?
trimethyl-[2-(methylcarbamoylamino)ethyl]azanium has a molecular weight of 160.24 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(methylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 13379058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).