3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine

C11H19NO — CID 115749687

IUPAC3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1CC(C)(OC)C1(C)C
InChIInChI=1S/C11H19NO/c1-6-7-12-9-8-11(4,13-5)10(9,2)3/h1,9,12H,7-8H2,2-5H3
InChIKeyKORGYNZHILAEOJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds3

About 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine

3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine (PubChem CID 115749687) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine
PubChem CID115749687
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1CC(C)(OC)C1(C)C
InChIInChI=1S/C11H19NO/c1-6-7-12-9-8-11(4,13-5)10(9,2)3/h1,9,12H,7-8H2,2-5H3
InChIKeyKORGYNZHILAEOJ-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine?
The IUPAC name of 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine (CID 115749687) is 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine?
The canonical SMILES for 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine is C#CCNC1CC(C)(OC)C1(C)C.
What is the InChIKey of 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine?
The InChIKey is KORGYNZHILAEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-7-12-9-8-11(4,13-5)10(9,2)3/h1,9,12H,7-8H2,2-5H3.
What are the key properties of 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine?
3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2,3-trimethyl-N-prop-2-ynylcyclobutan-1-amine is sourced from PubChem (CID 115749687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).