3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine

C15H27NO — CID 130373189

IUPAC3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
SMILESCCC(CC)COC1=CC=CC(CCCN)C1
InChIInChI=1S/C15H27NO/c1-3-13(4-2)12-17-15-9-5-7-14(11-15)8-6-10-16/h5,7,9,13-14H,3-4,6,8,10-12,16H2,1-2H3
InChIKeyFBSGYBGLEOUAMB-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.64
Rot. Bonds8

About 3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine

3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine (PubChem CID 130373189) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
PubChem CID130373189
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
SMILESCCC(CC)COC1=CC=CC(CCCN)C1
InChIInChI=1S/C15H27NO/c1-3-13(4-2)12-17-15-9-5-7-14(11-15)8-6-10-16/h5,7,9,13-14H,3-4,6,8,10-12,16H2,1-2H3
InChIKeyFBSGYBGLEOUAMB-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine (CID 130373189) is 3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine is CCC(CC)COC1=CC=CC(CCCN)C1.
What is the InChIKey of 3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine?
The InChIKey is FBSGYBGLEOUAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-13(4-2)12-17-15-9-5-7-14(11-15)8-6-10-16/h5,7,9,13-14H,3-4,6,8,10-12,16H2,1-2H3.
What are the key properties of 3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine?
3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine is sourced from PubChem (CID 130373189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).