bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene

C20H42N8O — CID 159088456

IUPACbis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene
SMILESC=C(C)C.CC(C)(C)O.CN(C)CCn1ccnn1.CN(C)CCn1ccnn1
InChIInChI=1S/2C6H12N4.C4H10O.C4H8/c2*1-9(2)5-6-10-4-3-7-8-10;1-4(2,3)5;1-4(2)3/h2*3-4H,5-6H2,1-2H3;5H,1-3H3;1H2,2-3H3
InChIKeyKBTGDGKIHONXQZ-UHFFFAOYSA-N
MW410.61 g/mol
LogP2.04
Rot. Bonds6

About bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene

bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene (PubChem CID 159088456) has the molecular formula C20H42N8O and a molecular weight of 410.61 g/mol. Its IUPAC name is bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene.

Molecular Properties

Compound Namebis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene
PubChem CID159088456
Molecular FormulaC20H42N8O
Molecular Weight410.61 g/mol
Exact Mass410.35
IUPAC Namebis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene
SMILESC=C(C)C.CC(C)(C)O.CN(C)CCn1ccnn1.CN(C)CCn1ccnn1
InChIInChI=1S/2C6H12N4.C4H10O.C4H8/c2*1-9(2)5-6-10-4-3-7-8-10;1-4(2,3)5;1-4(2)3/h2*3-4H,5-6H2,1-2H3;5H,1-3H3;1H2,2-3H3
InChIKeyKBTGDGKIHONXQZ-UHFFFAOYSA-N
XLogP2.04
TPSA88.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
S-[2-(triazol-1-yl)ethyl] ethanethioate
CID 10464755
1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol
CID 90931320
3,3-dimethyl-1-(triazol-1-yl)butan-2-one
CID 19813968
triazol-1-ylmethanol
CID 15568557
2-hydroxy-2-methyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 66173368
1-[2-(2,2-dimethylpropylsulfonyl)ethyl]triazole
CID 167540335
N-(1-amino-2-methylpropan-2-yl)-3-(triazol-1-yl)propanamide
CID 63193740
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 63939062
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
CID 114618475
2,2-dimethyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 115427037

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene?
The IUPAC name of bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene (CID 159088456) is bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene.
What is the SMILES notation for bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene?
The canonical SMILES for bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene is C=C(C)C.CC(C)(C)O.CN(C)CCn1ccnn1.CN(C)CCn1ccnn1.
What is the InChIKey of bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene?
The InChIKey is KBTGDGKIHONXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12N4.C4H10O.C4H8/c2*1-9(2)5-6-10-4-3-7-8-10;1-4(2,3)5;1-4(2)3/h2*3-4H,5-6H2,1-2H3;5H,1-3H3;1H2,2-3H3.
What are the key properties of bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene?
bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene has a molecular weight of 410.61 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethyl-2-(triazol-1-yl)ethanamine);2-methylpropan-2-ol;2-methylprop-1-ene is sourced from PubChem (CID 159088456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).