trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium

C15H35N6O+ — CID 11724349

IUPACtrimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium
SMILESC[N+](C)(C)CCNC(=O)CN1CCNCCNCCNCC1
InChIInChI=1S/C15H34N6O/c1-21(2,3)13-10-19-15(22)14-20-11-8-17-6-4-16-5-7-18-9-12-20/h16-18H,4-14H2,1-3H3/p+1
InChIKeyYKABZEFPLXCFDT-UHFFFAOYSA-O
MW315.49 g/mol
LogP-2.11
Rot. Bonds5

About trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium

trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium (PubChem CID 11724349) has the molecular formula C15H35N6O+ and a molecular weight of 315.49 g/mol. Its IUPAC name is trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium
PubChem CID11724349
Molecular FormulaC15H35N6O+
Molecular Weight315.49 g/mol
Exact Mass315.29
IUPAC Nametrimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium
SMILESC[N+](C)(C)CCNC(=O)CN1CCNCCNCCNCC1
InChIInChI=1S/C15H34N6O/c1-21(2,3)13-10-19-15(22)14-20-11-8-17-6-4-16-5-7-18-9-12-20/h16-18H,4-14H2,1-3H3/p+1
InChIKeyYKABZEFPLXCFDT-UHFFFAOYSA-O
XLogP-2.11
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium with MolForge

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Related Compounds

N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylacetamide
CID 62636869
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid
CID 107836104
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 62837051
N-iodo-2-piperazin-1-ylacetamide
CID 171526171
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 54773681
2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid
CID 79457584
2-piperazin-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 114187625

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium?
The IUPAC name of trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium (CID 11724349) is trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium is C[N+](C)(C)CCNC(=O)CN1CCNCCNCCNCC1.
What is the InChIKey of trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium?
The InChIKey is YKABZEFPLXCFDT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H34N6O/c1-21(2,3)13-10-19-15(22)14-20-11-8-17-6-4-16-5-7-18-9-12-20/h16-18H,4-14H2,1-3H3/p+1.
What are the key properties of trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium?
trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium has a molecular weight of 315.49 g/mol, XLogP of -2.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium is sourced from PubChem (CID 11724349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).