N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine

C18H40N2O2 — CID 126577485

IUPACN,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine
SMILESCC(C)C(CN(C)C(C)C)OOC(CN(C)C(C)C)C(C)C
InChIInChI=1S/C18H40N2O2/c1-13(2)17(11-19(9)15(5)6)21-22-18(14(3)4)12-20(10)16(7)8/h13-18H,11-12H2,1-10H3
InChIKeyPSZBTZPTLQWXTK-UHFFFAOYSA-N
MW316.53 g/mol
LogP3.66
Rot. Bonds11

About N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine

N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine (PubChem CID 126577485) has the molecular formula C18H40N2O2 and a molecular weight of 316.53 g/mol. Its IUPAC name is N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine
PubChem CID126577485
Molecular FormulaC18H40N2O2
Molecular Weight316.53 g/mol
Exact Mass316.31
IUPAC NameN,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine
SMILESCC(C)C(CN(C)C(C)C)OOC(CN(C)C(C)C)C(C)C
InChIInChI=1S/C18H40N2O2/c1-13(2)17(11-19(9)15(5)6)21-22-18(14(3)4)12-20(10)16(7)8/h13-18H,11-12H2,1-10H3
InChIKeyPSZBTZPTLQWXTK-UHFFFAOYSA-N
XLogP3.66
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine with MolForge

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Related Compounds

(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
3-N-methyl-3-N-propan-2-ylpropane-1,2,3-triamine
CID 115119484
1-N,4-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
CID 43199687
1-N,3,3-trimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 16795578
(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine
CID 166781330
CID 166489938
CID 166489938
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
CID 167101459
(2R,3R,4R,5S)-6-[methyl(propan-2-yl)amino]hexane-1,2,3,4,5-pentol
CID 58957788
2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile
CID 43367383
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
N,2-dimethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine;ethane
CID 142151836
2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 164857720

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine?
The IUPAC name of N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine (CID 126577485) is N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine is CC(C)C(CN(C)C(C)C)OOC(CN(C)C(C)C)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine?
The InChIKey is PSZBTZPTLQWXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2/c1-13(2)17(11-19(9)15(5)6)21-22-18(14(3)4)12-20(10)16(7)8/h13-18H,11-12H2,1-10H3.
What are the key properties of N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine?
N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine has a molecular weight of 316.53 g/mol, XLogP of 3.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[3-methyl-1-[methyl(propan-2-yl)amino]butan-2-yl]peroxy-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 126577485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).