1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine

C11H21NO — CID 91614440

IUPAC1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine
SMILESCC=C(C)C(OCC(C)N)=C(C)C
InChIInChI=1S/C11H21NO/c1-6-9(4)11(8(2)3)13-7-10(5)12/h6,10H,7,12H2,1-5H3
InChIKeyBUHMPLUYSFYIII-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.61
Rot. Bonds4

About 1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine

1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine (PubChem CID 91614440) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine
PubChem CID91614440
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine
SMILESCC=C(C)C(OCC(C)N)=C(C)C
InChIInChI=1S/C11H21NO/c1-6-9(4)11(8(2)3)13-7-10(5)12/h6,10H,7,12H2,1-5H3
InChIKeyBUHMPLUYSFYIII-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(4-Methylpent-3-en-2-yloxy)ethanamine
CID 87594390
(3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine
CID 89139574
(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
CID 89209291
2-[2-(2-Prop-1-enylidenecyclopropylidene)propoxy]ethanamine
CID 90705841
6-Methoxynona-4,6-dien-2-amine
CID 90755052
5-Methoxy-3,8-dimethylnona-3,5,7-trien-1-amine
CID 90796927
1-(3-Methyl-7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-amine
CID 91237475
1-(4-methyl-2H-pyran-6-yl)propan-1-amine
CID 123661147
(3E,5E)-3,5-dibutoxyocta-3,5,7-trien-2-amine
CID 138738998
2-(5,5-Dimethylcyclohepta-1,3,6-trien-1-yl)oxyethanamine
CID 141774962
1-[(2E)-2-ethenylpenta-2,4-dienoxy]propan-2-amine
CID 141848142
5-[(Z)-but-1-enyl]-4-ethenyl-2,3-dihydrofuran-3-amine
CID 141898053

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine?
The IUPAC name of 1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine (CID 91614440) is 1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine.
What is the SMILES notation for 1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine?
The canonical SMILES for 1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine is CC=C(C)C(OCC(C)N)=C(C)C.
What is the InChIKey of 1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine?
The InChIKey is BUHMPLUYSFYIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-9(4)11(8(2)3)13-7-10(5)12/h6,10H,7,12H2,1-5H3.
What are the key properties of 1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine?
1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine has a molecular weight of 183.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylhexa-2,4-dien-3-yloxy)propan-2-amine is sourced from PubChem (CID 91614440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).