3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine

C11H21NO — CID 144694237

IUPAC3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine
SMILESC=C/C(=C\C)OCCCNC(C)C
InChIInChI=1S/C11H21NO/c1-5-11(6-2)13-9-7-8-12-10(3)4/h5-6,10,12H,1,7-9H2,2-4H3/b11-6+
InChIKeyQYSOLMMISJZHIA-IZZDOVSWSA-N
MW183.29 g/mol
LogP2.48
Rot. Bonds7

About 3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine

3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine (PubChem CID 144694237) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine
PubChem CID144694237
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine
SMILESC=C/C(=C\C)OCCCNC(C)C
InChIInChI=1S/C11H21NO/c1-5-11(6-2)13-9-7-8-12-10(3)4/h5-6,10,12H,1,7-9H2,2-4H3/b11-6+
InChIKeyQYSOLMMISJZHIA-IZZDOVSWSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(butan-2-ylamino)propyl prop-2-enoate
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3-(propan-2-ylamino)propyl N-tert-butylcarbamate
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6-(prop-2-enoylamino)hexyl 2-methylpropanoate
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3-(1-hydroxyprop-2-enylamino)propyl 3-methylbutanoate
CID 134504883
2-[3-(propan-2-ylamino)propoxy]propanoic acid
CID 106939688
2-methyl-1-[3-(propan-2-ylamino)propoxy]propan-2-ol
CID 106939709
4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline
CID 10332272
4-methylpentyl 4-(propan-2-ylamino)butanoate
CID 61304079
5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
CID 142398269

Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine (CID 144694237) is 3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine is C=C/C(=C\C)OCCCNC(C)C.
What is the InChIKey of 3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine?
The InChIKey is QYSOLMMISJZHIA-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-11(6-2)13-9-7-8-12-10(3)4/h5-6,10,12H,1,7-9H2,2-4H3/b11-6+.
What are the key properties of 3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine?
3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 144694237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).