1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine

C16H32N2O — CID 57123737

IUPAC1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine
SMILESC=CCC(CCOCCC(CC=C)N(C)C)N(C)C
InChIInChI=1S/C16H32N2O/c1-7-9-15(17(3)4)11-13-19-14-12-16(10-8-2)18(5)6/h7-8,15-16H,1-2,9-14H2,3-6H3
InChIKeySIVCRJBFRJPBOL-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds12

About 1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine

1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine (PubChem CID 57123737) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine
PubChem CID57123737
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine
SMILESC=CCC(CCOCCC(CC=C)N(C)C)N(C)C
InChIInChI=1S/C16H32N2O/c1-7-9-15(17(3)4)11-13-19-14-12-16(10-8-2)18(5)6/h7-8,15-16H,1-2,9-14H2,3-6H3
InChIKeySIVCRJBFRJPBOL-UHFFFAOYSA-N
XLogP2.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine?
The IUPAC name of 1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine (CID 57123737) is 1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine.
What is the SMILES notation for 1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine?
The canonical SMILES for 1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine is C=CCC(CCOCCC(CC=C)N(C)C)N(C)C.
What is the InChIKey of 1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine?
The InChIKey is SIVCRJBFRJPBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-9-15(17(3)4)11-13-19-14-12-16(10-8-2)18(5)6/h7-8,15-16H,1-2,9-14H2,3-6H3.
What are the key properties of 1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine?
1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine is sourced from PubChem (CID 57123737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).