N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine

C16H35NO — CID 63492820

IUPACN-tert-butyl-2-(2-ethylhexoxy)butan-1-amine
SMILESCCCCC(CC)COC(CC)CNC(C)(C)C
InChIInChI=1S/C16H35NO/c1-7-10-11-14(8-2)13-18-15(9-3)12-17-16(4,5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyBQGUCTIFHARMRC-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.39
Rot. Bonds10

About N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine

N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine (PubChem CID 63492820) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-ethylhexoxy)butan-1-amine
PubChem CID63492820
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-tert-butyl-2-(2-ethylhexoxy)butan-1-amine
SMILESCCCCC(CC)COC(CC)CNC(C)(C)C
InChIInChI=1S/C16H35NO/c1-7-10-11-14(8-2)13-18-15(9-3)12-17-16(4,5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyBQGUCTIFHARMRC-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(heptan-3-yloxymethyl)heptane
CID 90211738
N-tert-butyl-2-ethyldecan-1-amine
CID 55196031
bis(2-ethylhexyl) 2-[(tert-butylamino)methyl]butanedioate
CID 118499992
3-(difluoromethoxymethyl)heptane
CID 162429038
2-(2-ethylhexoxy)-3-[2-(2-ethylhexoxy)-3-hydroxypropyl]peroxypropan-1-ol
CID 87579120
2-(2-ethylhexoxy)-N-methylpropan-1-amine
CID 62336461
ethoxyethane;2-(2-ethylhexoxy)propane-1,3-diol
CID 87579118
(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine
CID 96570976
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
N-tert-butyl-2-ethyl-5-methoxypentan-1-amine
CID 62515551
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118
3-(1-ethoxyethoxymethyl)heptane
CID 173293823

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine (CID 63492820) is N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine is CCCCC(CC)COC(CC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine?
The InChIKey is BQGUCTIFHARMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-7-10-11-14(8-2)13-18-15(9-3)12-17-16(4,5)6/h14-15,17H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine?
N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine is sourced from PubChem (CID 63492820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).