2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine

C14H31NO — CID 106456779

IUPAC2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CN)CCOCC(C)C
InChIInChI=1S/C14H31NO/c1-5-7-8-14(6-2,12-15)9-10-16-11-13(3)4/h13H,5-12,15H2,1-4H3
InChIKeyAELCXHIZPSRDKM-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.59
Rot. Bonds10

About 2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine

2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine (PubChem CID 106456779) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine
PubChem CID106456779
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CN)CCOCC(C)C
InChIInChI=1S/C14H31NO/c1-5-7-8-14(6-2,12-15)9-10-16-11-13(3)4/h13H,5-12,15H2,1-4H3
InChIKeyAELCXHIZPSRDKM-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.59
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

3-(bromomethyl)-3-ethyl-1-(2-methylpropoxy)heptane
CID 106459603
2-butyl-2-ethylhexan-1-amine
CID 62725100
2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535
2-butyl-2-ethyldodecan-1-amine
CID 55195465
4-ethoxy-2,2-diethylbutan-1-amine
CID 62725698
2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine
CID 106450923
3,3-bis(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459822
2-(aminomethyl)-2-ethyl-4-(3-methylbutoxy)butan-1-ol
CID 106508329
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
CID 106507831

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine (CID 106456779) is 2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine is CCCCC(CC)(CN)CCOCC(C)C.
What is the InChIKey of 2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine?
The InChIKey is AELCXHIZPSRDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-7-8-14(6-2,12-15)9-10-16-11-13(3)4/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine?
2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 106456779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).