N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine

C11H25N3O2-2 — CID 163431704

IUPACN,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine
SMILESCCC(C)(C)N([O-])N(C)N([O-])C(C)(C)CC
InChIInChI=1S/C11H25N3O2/c1-8-10(3,4)13(15)12(7)14(16)11(5,6)9-2/h8-9H2,1-7H3/q-2
InChIKeyCYTUQYVWFRZBOB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.72
Rot. Bonds6

About N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine

N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine (PubChem CID 163431704) has the molecular formula C11H25N3O2-2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine.

Molecular Properties

Compound NameN,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine
PubChem CID163431704
Molecular FormulaC11H25N3O2-2
Molecular Weight231.34 g/mol
Exact Mass231.20
IUPAC NameN,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine
SMILESCCC(C)(C)N([O-])N(C)N([O-])C(C)(C)CC
InChIInChI=1S/C11H25N3O2/c1-8-10(3,4)13(15)12(7)14(16)11(5,6)9-2/h8-9H2,1-7H3/q-2
InChIKeyCYTUQYVWFRZBOB-UHFFFAOYSA-N
XLogP2.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-iodo-N,2-dimethylbutan-2-amine
CID 154548440
N,2-dimethyl-N-methylsulfanylbutan-2-amine
CID 168917994
CID 101012974
CID 101012974
2-methyl-N-(3-methylpentan-3-yldiazenyl)-N-oxidobutan-2-amine
CID 163604950
N-methyl-N-(2-methylbutan-2-yl)cyclohexanamine
CID 126515554
2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965862
1-[methyl-[2-methyl-1-[methyl(2-methylbutan-2-yl)amino]propan-2-yl]amino]propan-2-ol
CID 165002864
2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane
CID 91586029
1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
CID 63960051
N,N',2,2-tetramethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63964315
3-bromo-3,5,5-trimethylheptane
CID 122683982
3-[methyl(oxido)amino]pentan-3-ol
CID 163924305

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine?
The IUPAC name of N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine (CID 163431704) is N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine.
What is the SMILES notation for N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine?
The canonical SMILES for N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine is CCC(C)(C)N([O-])N(C)N([O-])C(C)(C)CC.
What is the InChIKey of N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine?
The InChIKey is CYTUQYVWFRZBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-8-10(3,4)13(15)12(7)14(16)11(5,6)9-2/h8-9H2,1-7H3/q-2.
What are the key properties of N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine?
N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine is sourced from PubChem (CID 163431704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).