N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine

C14H29NO2 — CID 103036053

IUPACN-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1(OC)CCC1
InChIInChI=1S/C14H29NO2/c1-6-15-12(8-11-13(2,3)16-4)14(17-5)9-7-10-14/h12,15H,6-11H2,1-5H3
InChIKeyIBNYEJIKZWVWDB-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds8

About N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine

N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine (PubChem CID 103036053) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine
PubChem CID103036053
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1(OC)CCC1
InChIInChI=1S/C14H29NO2/c1-6-15-12(8-11-13(2,3)16-4)14(17-5)9-7-10-14/h12,15H,6-11H2,1-5H3
InChIKeyIBNYEJIKZWVWDB-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine (CID 103036053) is N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)C1(OC)CCC1.
What is the InChIKey of N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine?
The InChIKey is IBNYEJIKZWVWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-15-12(8-11-13(2,3)16-4)14(17-5)9-7-10-14/h12,15H,6-11H2,1-5H3.
What are the key properties of N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine?
N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine is sourced from PubChem (CID 103036053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).