1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine

C12H25NO — CID 116720319

IUPAC1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine
SMILESCCNC(CC1CC1)C(OC)C(C)C
InChIInChI=1S/C12H25NO/c1-5-13-11(8-10-6-7-10)12(14-4)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyQNFICJRDZWIXBI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds7

About 1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine

1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine (PubChem CID 116720319) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine
PubChem CID116720319
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine
SMILESCCNC(CC1CC1)C(OC)C(C)C
InChIInChI=1S/C12H25NO/c1-5-13-11(8-10-6-7-10)12(14-4)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyQNFICJRDZWIXBI-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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-3-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine (CID 116720319) is 1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine is CCNC(CC1CC1)C(OC)C(C)C.
What is the InChIKey of 1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The InChIKey is QNFICJRDZWIXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-13-11(8-10-6-7-10)12(14-4)9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine?
1-cyclopropyl-N-ethyl-3-methoxy-4-methylpentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 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-3-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 116720319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).