2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine

C15H31N — CID 123739905

IUPAC2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine
SMILESCCNC1C(C(C)CC)CC1C(C)C(C)C
InChIInChI=1S/C15H31N/c1-7-11(5)13-9-14(12(6)10(3)4)15(13)16-8-2/h10-16H,7-9H2,1-6H3
InChIKeyWMTHRNNKPLJMAI-UHFFFAOYSA-N
MW225.42 g/mol
LogP3.94
Rot. Bonds6

About 2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine

2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine (PubChem CID 123739905) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine
PubChem CID123739905
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine
SMILESCCNC1C(C(C)CC)CC1C(C)C(C)C
InChIInChI=1S/C15H31N/c1-7-11(5)13-9-14(12(6)10(3)4)15(13)16-8-2/h10-16H,7-9H2,1-6H3
InChIKeyWMTHRNNKPLJMAI-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine?
The IUPAC name of 2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine (CID 123739905) is 2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine is CCNC1C(C(C)CC)CC1C(C)C(C)C.
What is the InChIKey of 2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine?
The InChIKey is WMTHRNNKPLJMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-7-11(5)13-9-14(12(6)10(3)4)15(13)16-8-2/h10-16H,7-9H2,1-6H3.
What are the key properties of 2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine?
2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-ethyl-4-(3-methylbutan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 123739905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).