1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine

C12H25NO — CID 79197921

IUPAC1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine
SMILESCCNC(CCC1CC1)C(C)(C)OC
InChIInChI=1S/C12H25NO/c1-5-13-11(12(2,3)14-4)9-8-10-6-7-10/h10-11,13H,5-9H2,1-4H3
InChIKeyGCLMAJQMXAVUSJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds7

About 1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine

1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine (PubChem CID 79197921) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine
PubChem CID79197921
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine
SMILESCCNC(CCC1CC1)C(C)(C)OC
InChIInChI=1S/C12H25NO/c1-5-13-11(12(2,3)14-4)9-8-10-6-7-10/h10-11,13H,5-9H2,1-4H3
InChIKeyGCLMAJQMXAVUSJ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine (CID 79197921) is 1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine is CCNC(CCC1CC1)C(C)(C)OC.
What is the InChIKey of 1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine?
The InChIKey is GCLMAJQMXAVUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-13-11(12(2,3)14-4)9-8-10-6-7-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine?
1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine is sourced from PubChem (CID 79197921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).