N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine

C15H33NO — CID 174180285

IUPACN,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine
SMILESCCC(C)CC(C)(C)CON(C)CCC(C)C
InChIInChI=1S/C15H33NO/c1-8-14(4)11-15(5,6)12-17-16(7)10-9-13(2)3/h13-14H,8-12H2,1-7H3
InChIKeyWPMDRHAWCLUSLQ-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.36
Rot. Bonds9

About N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine

N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine (PubChem CID 174180285) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine
PubChem CID174180285
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine
SMILESCCC(C)CC(C)(C)CON(C)CCC(C)C
InChIInChI=1S/C15H33NO/c1-8-14(4)11-15(5,6)12-17-16(7)10-9-13(2)3/h13-14H,8-12H2,1-7H3
InChIKeyWPMDRHAWCLUSLQ-UHFFFAOYSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydrazinyl-2,2-dimethylpropoxy)-N,3-dimethylbutan-1-amine
CID 139448343
N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine
CID 142386094
3,5,5,8-tetramethyldecane
CID 57491683
2,2,4-trimethylhexan-1-ol
CID 14747424
4,4,6-trimethyloctan-2-ol
CID 64717881
(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
CID 176934799
(2R,7S)-5,5,7-trimethylnonan-2-amine
CID 138642965
ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
CID 157040656
1-[3-hydroxypropyl-(2-hydroxy-4,4,6-trimethyloctyl)amino]-4,4,6-trimethyloctan-2-ol
CID 123822047
methane;2,2,4-trimethylhexane
CID 159659116
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
azane;2,2,4-trimethylhexane
CID 87634842

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine?
The IUPAC name of N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine (CID 174180285) is N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine is CCC(C)CC(C)(C)CON(C)CCC(C)C.
What is the InChIKey of N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine?
The InChIKey is WPMDRHAWCLUSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-8-14(4)11-15(5,6)12-17-16(7)10-9-13(2)3/h13-14H,8-12H2,1-7H3.
What are the key properties of N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine?
N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2,2,4-trimethylhexoxy)butan-1-amine is sourced from PubChem (CID 174180285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).