5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane

C16H36N2O — CID 170597189

IUPAC5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane
SMILESC=C(CC(C)(C)COCC(C)(C)CN)NCC.CC
InChIInChI=1S/C14H30N2O.C2H6/c1-7-16-12(2)8-13(3,4)10-17-11-14(5,6)9-15;1-2/h16H,2,7-11,15H2,1,3-6H3;1-2H3
InChIKeyTXIJPMOGLWTGCC-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.55
Rot. Bonds9

About 5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane

5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane (PubChem CID 170597189) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane.

Molecular Properties

Compound Name5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane
PubChem CID170597189
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane
SMILESC=C(CC(C)(C)COCC(C)(C)CN)NCC.CC
InChIInChI=1S/C14H30N2O.C2H6/c1-7-16-12(2)8-13(3,4)10-17-11-14(5,6)9-15;1-2/h16H,2,7-11,15H2,1,3-6H3;1-2H3
InChIKeyTXIJPMOGLWTGCC-UHFFFAOYSA-N
XLogP3.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane?
The IUPAC name of 5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane (CID 170597189) is 5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane.
What is the SMILES notation for 5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane?
The canonical SMILES for 5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane is C=C(CC(C)(C)COCC(C)(C)CN)NCC.CC.
What is the InChIKey of 5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane?
The InChIKey is TXIJPMOGLWTGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O.C2H6/c1-7-16-12(2)8-13(3,4)10-17-11-14(5,6)9-15;1-2/h16H,2,7-11,15H2,1,3-6H3;1-2H3.
What are the key properties of 5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane?
5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane has a molecular weight of 272.48 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane is sourced from PubChem (CID 170597189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).