N,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine

C15H27NO — CID 144797274

IUPACN,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine
SMILESC=C/C(=C\C=C(C)C)OC(CC)CCN(C)C
InChIInChI=1S/C15H27NO/c1-7-14(10-9-13(3)4)17-15(8-2)11-12-16(5)6/h7,9-10,15H,1,8,11-12H2,2-6H3/b14-10+
InChIKeyDDCCCNZBPAGQKI-GXDHUFHOSA-N
MW237.39 g/mol
LogP3.77
Rot. Bonds8

About N,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine

N,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine (PubChem CID 144797274) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine
PubChem CID144797274
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine
SMILESC=C/C(=C\C=C(C)C)OC(CC)CCN(C)C
InChIInChI=1S/C15H27NO/c1-7-14(10-9-13(3)4)17-15(8-2)11-12-16(5)6/h7,9-10,15H,1,8,11-12H2,2-6H3/b14-10+
InChIKeyDDCCCNZBPAGQKI-GXDHUFHOSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.77
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)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine (CID 144797274) is N,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine is C=C/C(=C\C=C(C)C)OC(CC)CCN(C)C.
What is the InChIKey of N,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine?
The InChIKey is DDCCCNZBPAGQKI-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H27NO/c1-7-14(10-9-13(3)4)17-15(8-2)11-12-16(5)6/h7,9-10,15H,1,8,11-12H2,2-6H3/b14-10+.
What are the key properties of N,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine?
N,N-dimethyl-3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.77, 8 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)-6-methylhepta-1,3,5-trien-3-yl]oxypentan-1-amine is sourced from PubChem (CID 144797274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).