1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine

C14H25NO — CID 163586823

IUPAC1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine
SMILESCCC(OCC(C)(C)NC)C1C=CC=CC1
InChIInChI=1S/C14H25NO/c1-5-13(12-9-7-6-8-10-12)16-11-14(2,3)15-4/h6-9,12-13,15H,5,10-11H2,1-4H3
InChIKeyGMEGOVLUGUPZCV-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.91
Rot. Bonds6

About 1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine

1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine (PubChem CID 163586823) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine
PubChem CID163586823
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine
SMILESCCC(OCC(C)(C)NC)C1C=CC=CC1
InChIInChI=1S/C14H25NO/c1-5-13(12-9-7-6-8-10-12)16-11-14(2,3)15-4/h6-9,12-13,15H,5,10-11H2,1-4H3
InChIKeyGMEGOVLUGUPZCV-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine (CID 163586823) is 1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine is CCC(OCC(C)(C)NC)C1C=CC=CC1.
What is the InChIKey of 1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine?
The InChIKey is GMEGOVLUGUPZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-13(12-9-7-6-8-10-12)16-11-14(2,3)15-4/h6-9,12-13,15H,5,10-11H2,1-4H3.
What are the key properties of 1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine?
1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 163586823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).