3-cyclohexa-1,5-dien-1-yloxypropan-1-amine

C9H15NO — CID 134526914

IUPAC3-cyclohexa-1,5-dien-1-yloxypropan-1-amine
SMILESNCCCOC1=CCCC=C1
InChIInChI=1S/C9H15NO/c10-7-4-8-11-9-5-2-1-3-6-9/h2,5-6H,1,3-4,7-8,10H2
InChIKeyPPNPVRWTPCOOOM-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.59
Rot. Bonds4

About 3-cyclohexa-1,5-dien-1-yloxypropan-1-amine

3-cyclohexa-1,5-dien-1-yloxypropan-1-amine (PubChem CID 134526914) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yloxypropan-1-amine.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yloxypropan-1-amine
PubChem CID134526914
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name3-cyclohexa-1,5-dien-1-yloxypropan-1-amine
SMILESNCCCOC1=CCCC=C1
InChIInChI=1S/C9H15NO/c10-7-4-8-11-9-5-2-1-3-6-9/h2,5-6H,1,3-4,7-8,10H2
InChIKeyPPNPVRWTPCOOOM-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyran-2-methane-amine
CID 21113632
3-(5-Fluorocyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 143308983
2-(3a,7a-Dihydro-1-benzofuran-2-yl)ethanamine
CID 18413954
2-(2H-pyran-6-yl)ethanamine
CID 53908494
2-(2H-pyran-4-yl)ethanamine
CID 54557534
2-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 66875789
2-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 67233341
4-Ethoxycyclohexa-2,4-dien-1-amine
CID 67819232
rac 2-Aminoethylpyran
CID 70082202
4-Butoxycyclohexa-2,4-dien-1-amine
CID 89073852
(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
CID 89209291
4,5-Dimethoxycyclohexa-2,4-dien-1-amine
CID 89211055

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yloxypropan-1-amine?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yloxypropan-1-amine (CID 134526914) is 3-cyclohexa-1,5-dien-1-yloxypropan-1-amine.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yloxypropan-1-amine?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yloxypropan-1-amine is NCCCOC1=CCCC=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yloxypropan-1-amine?
The InChIKey is PPNPVRWTPCOOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-7-4-8-11-9-5-2-1-3-6-9/h2,5-6H,1,3-4,7-8,10H2.
What are the key properties of 3-cyclohexa-1,5-dien-1-yloxypropan-1-amine?
3-cyclohexa-1,5-dien-1-yloxypropan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yloxypropan-1-amine is sourced from PubChem (CID 134526914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).