N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine

C14H32N2O — CID 144922056

IUPACN,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine
SMILESCNCCCC(C)(C)OCCC(C)(C)CNC
InChIInChI=1S/C14H32N2O/c1-13(2,12-16-6)9-11-17-14(3,4)8-7-10-15-5/h15-16H,7-12H2,1-6H3
InChIKeyBSMVQNWVEHIQFZ-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.42
Rot. Bonds10

About N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine

N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine (PubChem CID 144922056) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine
PubChem CID144922056
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine
SMILESCNCCCC(C)(C)OCCC(C)(C)CNC
InChIInChI=1S/C14H32N2O/c1-13(2,12-16-6)9-11-17-14(3,4)8-7-10-15-5/h15-16H,7-12H2,1-6H3
InChIKeyBSMVQNWVEHIQFZ-UHFFFAOYSA-N
XLogP2.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
CID 155034107
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
N-methyl-2-(2-methylpentan-2-yloxy)ethanamine
CID 144977046
3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one
CID 142391928
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
CID 91197205
N-[2-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]-5-oxohexanamide
CID 144763173
N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723721
N,2,2-trimethyloctan-1-amine
CID 62723717
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal
CID 145317497

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine?
The IUPAC name of N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine (CID 144922056) is N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine?
The canonical SMILES for N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine is CNCCCC(C)(C)OCCC(C)(C)CNC.
What is the InChIKey of N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine?
The InChIKey is BSMVQNWVEHIQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-13(2,12-16-6)9-11-17-14(3,4)8-7-10-15-5/h15-16H,7-12H2,1-6H3.
What are the key properties of N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine?
N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine has a molecular weight of 244.42 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-4-[2-methyl-5-(methylamino)pentan-2-yl]oxybutan-1-amine is sourced from PubChem (CID 144922056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).