N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine

C12H23NO — CID 142283484

IUPACN,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine
SMILESC=C/C(=C\C)OC(CC)CCN(C)C
InChIInChI=1S/C12H23NO/c1-6-11(7-2)14-12(8-3)9-10-13(4)5/h6-7,12H,1,8-10H2,2-5H3/b11-7+
InChIKeyYXQQRQCIPWHFBC-YRNVUSSQSA-N
MW197.32 g/mol
LogP2.82
Rot. Bonds7

About N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine

N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine (PubChem CID 142283484) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine
PubChem CID142283484
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine
SMILESC=C/C(=C\C)OC(CC)CCN(C)C
InChIInChI=1S/C12H23NO/c1-6-11(7-2)14-12(8-3)9-10-13(4)5/h6-7,12H,1,8-10H2,2-5H3/b11-7+
InChIKeyYXQQRQCIPWHFBC-YRNVUSSQSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine (CID 142283484) is N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine is C=C/C(=C\C)OC(CC)CCN(C)C.
What is the InChIKey of N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine?
The InChIKey is YXQQRQCIPWHFBC-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-11(7-2)14-12(8-3)9-10-13(4)5/h6-7,12H,1,8-10H2,2-5H3/b11-7+.
What are the key properties of N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine?
N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3E)-penta-1,3-dien-3-yl]oxypentan-1-amine is sourced from PubChem (CID 142283484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).