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

C17H29NO — CID 130373360

IUPAC3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
SMILESC=CCC(CCC)COC1=CC=CC(CCCN)C1
InChIInChI=1S/C17H29NO/c1-3-7-16(8-4-2)14-19-17-11-5-9-15(13-17)10-6-12-18/h3,5,9,11,15-16H,1,4,6-8,10,12-14,18H2,2H3
InChIKeyCONDEVOPWGHGKX-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.19
Rot. Bonds10

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

3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine (PubChem CID 130373360) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
PubChem CID130373360
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
SMILESC=CCC(CCC)COC1=CC=CC(CCCN)C1
InChIInChI=1S/C17H29NO/c1-3-7-16(8-4-2)14-19-17-11-5-9-15(13-17)10-6-12-18/h3,5,9,11,15-16H,1,4,6-8,10,12-14,18H2,2H3
InChIKeyCONDEVOPWGHGKX-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine (CID 130373360) is 3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine is C=CCC(CCC)COC1=CC=CC(CCCN)C1.
What is the InChIKey of 3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine?
The InChIKey is CONDEVOPWGHGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-7-16(8-4-2)14-19-17-11-5-9-15(13-17)10-6-12-18/h3,5,9,11,15-16H,1,4,6-8,10,12-14,18H2,2H3.
What are the key properties of 3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine?
3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine is sourced from PubChem (CID 130373360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).