N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine

C16H35NO — CID 55196096

IUPACN-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine
SMILESCCCCC(CC)COCCNCCC(C)(C)C
InChIInChI=1S/C16H35NO/c1-6-8-9-15(7-2)14-18-13-12-17-11-10-16(3,4)5/h15,17H,6-14H2,1-5H3
InChIKeyKVODYSFPTDKDRR-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.25
Rot. Bonds11

About N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine

N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 55196096) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID55196096
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine
SMILESCCCCC(CC)COCCNCCC(C)(C)C
InChIInChI=1S/C16H35NO/c1-6-8-9-15(7-2)14-18-13-12-17-11-10-16(3,4)5/h15,17H,6-14H2,1-5H3
InChIKeyKVODYSFPTDKDRR-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
2-ethoxy-N-[2-(2-ethylhexoxy)ethyl]ethanamine
CID 62597434
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
CID 171580547
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol
CID 64815027
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol
CID 64804208
3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140
3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine
CID 79626671
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine (CID 55196096) is N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine is CCCCC(CC)COCCNCCC(C)(C)C.
What is the InChIKey of N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is KVODYSFPTDKDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-6-8-9-15(7-2)14-18-13-12-17-11-10-16(3,4)5/h15,17H,6-14H2,1-5H3.
What are the key properties of N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine?
N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.25, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 55196096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).