2,2-dimethyl-3-propoxycyclobutan-1-amine

C9H19NO — CID 66357857

IUPAC2,2-dimethyl-3-propoxycyclobutan-1-amine
SMILESCCCOC1CC(N)C1(C)C
InChIInChI=1S/C9H19NO/c1-4-5-11-8-6-7(10)9(8,2)3/h7-8H,4-6,10H2,1-3H3
InChIKeyHUOSNKXREARUNL-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds3

About 2,2-dimethyl-3-propoxycyclobutan-1-amine

2,2-dimethyl-3-propoxycyclobutan-1-amine (PubChem CID 66357857) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-propoxycyclobutan-1-amine
PubChem CID66357857
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2-dimethyl-3-propoxycyclobutan-1-amine
SMILESCCCOC1CC(N)C1(C)C
InChIInChI=1S/C9H19NO/c1-4-5-11-8-6-7(10)9(8,2)3/h7-8H,4-6,10H2,1-3H3
InChIKeyHUOSNKXREARUNL-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-dimethyl-3-propoxycyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-propoxycyclobutan-1-amine (CID 66357857) is 2,2-dimethyl-3-propoxycyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-propoxycyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-propoxycyclobutan-1-amine is CCCOC1CC(N)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-propoxycyclobutan-1-amine?
The InChIKey is HUOSNKXREARUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-11-8-6-7(10)9(8,2)3/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-propoxycyclobutan-1-amine?
2,2-dimethyl-3-propoxycyclobutan-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-dimethyl-3-propoxycyclobutan-1-amine is sourced from PubChem (CID 66357857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).