N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine

C14H25N — CID 58109916

IUPACN-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine
SMILESCCC(CC1=CC=CCC1)NC(C)(C)C
InChIInChI=1S/C14H25N/c1-5-13(15-14(2,3)4)11-12-9-7-6-8-10-12/h6-7,9,13,15H,5,8,10-11H2,1-4H3
InChIKeyAGMAISKKJGPJSG-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.82
Rot. Bonds4

About N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine

N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine (PubChem CID 58109916) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine
PubChem CID58109916
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine
SMILESCCC(CC1=CC=CCC1)NC(C)(C)C
InChIInChI=1S/C14H25N/c1-5-13(15-14(2,3)4)11-12-9-7-6-8-10-12/h6-7,9,13,15H,5,8,10-11H2,1-4H3
InChIKeyAGMAISKKJGPJSG-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine?
The IUPAC name of N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine (CID 58109916) is N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine.
What is the SMILES notation for N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine?
The canonical SMILES for N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine is CCC(CC1=CC=CCC1)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine?
The InChIKey is AGMAISKKJGPJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-5-13(15-14(2,3)4)11-12-9-7-6-8-10-12/h6-7,9,13,15H,5,8,10-11H2,1-4H3.
What are the key properties of N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine?
N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-cyclohexa-1,3-dien-1-ylbutan-2-amine is sourced from PubChem (CID 58109916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).