2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine

C12H27N3 — CID 117014513

IUPAC2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCCNCC(C)(C)C1
InChIInChI=1S/C12H27N3/c1-12(2)10-13-6-5-7-15(11-12)9-8-14(3)4/h13H,5-11H2,1-4H3
InChIKeyAUSUMUKPZORVSG-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.87
Rot. Bonds3

About 2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine

2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine (PubChem CID 117014513) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine
PubChem CID117014513
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCCNCC(C)(C)C1
InChIInChI=1S/C12H27N3/c1-12(2)10-13-6-5-7-15(11-12)9-8-14(3)4/h13H,5-11H2,1-4H3
InChIKeyAUSUMUKPZORVSG-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
2-(2,8-diazaspiro[5.5]undecan-2-yl)-N,N-diethylethanamine
CID 102850433
2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine
CID 117025050
1-[3-(dimethylamino)propyl]-7,7-dimethyl-1,5-diazocan-2-one
CID 117014943
N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62831308
2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine
CID 117015150
2-[3-(1,4-diazepan-1-yl)pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 117004539
3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
CID 102656949
1-(3,3-dimethylbutyl)-3,3-dimethyl-1,4-diazepane
CID 64871072
2-[(2R,12R)-2,12-dimethyl-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-yl]-N,N-dimethylethanamine
CID 92759417
2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine
CID 117024844
N,N-dimethyl-2-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 106318786

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine (CID 117014513) is 2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine is CN(C)CCN1CCCNCC(C)(C)C1.
What is the InChIKey of 2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine?
The InChIKey is AUSUMUKPZORVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2)10-13-6-5-7-15(11-12)9-8-14(3)4/h13H,5-11H2,1-4H3.
What are the key properties of 2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine?
2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine has a molecular weight of 213.37 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 117014513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).