1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine

C14H29NO — CID 116725824

IUPAC1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(CC1CC1)C(OCC)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-15-12(10-11-8-9-11)13(16-7-2)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyJKFJXDGARKDDHW-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About 1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine

1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine (PubChem CID 116725824) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
PubChem CID116725824
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(CC1CC1)C(OCC)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-15-12(10-11-8-9-11)13(16-7-2)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyJKFJXDGARKDDHW-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
CID 116725715
1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725873
5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
CID 116725749
1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720319
3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
CID 116725818
3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
CID 116725712
1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol
CID 116713486
1-cyclohexyl-3-ethoxy-N-ethylpentan-2-amine
CID 116717017
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
1-cyclopropyl-N-ethyl-3-propylhexan-2-amine
CID 104986528
4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
CID 116725722

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine (CID 116725824) is 1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine is CCNC(CC1CC1)C(OCC)C(C)(C)C.
What is the InChIKey of 1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine?
The InChIKey is JKFJXDGARKDDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-15-12(10-11-8-9-11)13(16-7-2)14(3,4)5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine?
1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116725824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).