[(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium

C8H21N4O+ — CID 20663377

IUPAC[(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium
SMILESCN(C)CNC(=O)NC[N+](C)(C)C
InChIInChI=1S/C8H20N4O/c1-11(2)6-9-8(13)10-7-12(3,4)5/h6-7H2,1-5H3,(H-,9,10,13)/p+1
InChIKeyIVPCUKWFZZEMFH-UHFFFAOYSA-O
MW189.28 g/mol
LogP-0.53
Rot. Bonds4

About [(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium

[(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium (PubChem CID 20663377) has the molecular formula C8H21N4O+ and a molecular weight of 189.28 g/mol. Its IUPAC name is [(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium.

Molecular Properties

Compound Name[(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium
PubChem CID20663377
Molecular FormulaC8H21N4O+
Molecular Weight189.28 g/mol
Exact Mass189.17
IUPAC Name[(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium
SMILESCN(C)CNC(=O)NC[N+](C)(C)C
InChIInChI=1S/C8H20N4O/c1-11(2)6-9-8(13)10-7-12(3,4)5/h6-7H2,1-5H3,(H-,9,10,13)/p+1
InChIKeyIVPCUKWFZZEMFH-UHFFFAOYSA-O
XLogP-0.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium
CID 18730446
[[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium
CID 20663379
methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride
CID 161490642
4-bromo-N-[(dimethylamino)methyl]benzamide
CID 86084577
N-[[tert-butyl(methyl)amino]methyl]acetamide
CID 59035118
3-[2-(dimethylamino)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428255
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 113308075
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
[(dimethylamino)methylamino]methanol
CID 151843608
1,3-diethylurea;ethane
CID 142885504
N,N'-dihydroxy-N,N'-dimethylpropanediamide
CID 20659482
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984

Frequently Asked Questions

What is the IUPAC name of [(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium?
The IUPAC name of [(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium (CID 20663377) is [(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium.
What is the SMILES notation for [(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium?
The canonical SMILES for [(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium is CN(C)CNC(=O)NC[N+](C)(C)C.
What is the InChIKey of [(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium?
The InChIKey is IVPCUKWFZZEMFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H20N4O/c1-11(2)6-9-8(13)10-7-12(3,4)5/h6-7H2,1-5H3,(H-,9,10,13)/p+1.
What are the key properties of [(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium?
[(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium has a molecular weight of 189.28 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium is sourced from PubChem (CID 20663377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).