4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine

C14H29NO — CID 103559752

IUPAC4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine
SMILESCCC(CC)CC(CC1(OC)CCC1)NC
InChIInChI=1S/C14H29NO/c1-5-12(6-2)10-13(15-3)11-14(16-4)8-7-9-14/h12-13,15H,5-11H2,1-4H3
InChIKeyVZYZJIMRIHYWLW-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About 4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine

4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine (PubChem CID 103559752) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine
PubChem CID103559752
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine
SMILESCCC(CC)CC(CC1(OC)CCC1)NC
InChIInChI=1S/C14H29NO/c1-5-12(6-2)10-13(15-3)11-14(16-4)8-7-9-14/h12-13,15H,5-11H2,1-4H3
InChIKeyVZYZJIMRIHYWLW-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine?
The IUPAC name of 4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine (CID 103559752) is 4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine.
What is the SMILES notation for 4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine?
The canonical SMILES for 4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine is CCC(CC)CC(CC1(OC)CCC1)NC.
What is the InChIKey of 4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine?
The InChIKey is VZYZJIMRIHYWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-12(6-2)10-13(15-3)11-14(16-4)8-7-9-14/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine?
4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine is sourced from PubChem (CID 103559752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).