2,2-diethyl-3-methoxycyclobutan-1-amine

C9H19NO — CID 66358177

IUPAC2,2-diethyl-3-methoxycyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1OC
InChIInChI=1S/C9H19NO/c1-4-9(5-2)7(10)6-8(9)11-3/h7-8H,4-6,10H2,1-3H3
InChIKeyACLMMZWSFWNWEH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds3

About 2,2-diethyl-3-methoxycyclobutan-1-amine

2,2-diethyl-3-methoxycyclobutan-1-amine (PubChem CID 66358177) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2-diethyl-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-methoxycyclobutan-1-amine
PubChem CID66358177
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2-diethyl-3-methoxycyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1OC
InChIInChI=1S/C9H19NO/c1-4-9(5-2)7(10)6-8(9)11-3/h7-8H,4-6,10H2,1-3H3
InChIKeyACLMMZWSFWNWEH-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-methoxycyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-methoxycyclobutan-1-amine (CID 66358177) is 2,2-diethyl-3-methoxycyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-methoxycyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-methoxycyclobutan-1-amine is CCC1(CC)C(N)CC1OC.
What is the InChIKey of 2,2-diethyl-3-methoxycyclobutan-1-amine?
The InChIKey is ACLMMZWSFWNWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(5-2)7(10)6-8(9)11-3/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 2,2-diethyl-3-methoxycyclobutan-1-amine?
2,2-diethyl-3-methoxycyclobutan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 66358177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).