5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine

C16H32N2O — CID 139697211

IUPAC5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine
SMILESC=C(C)C(CCOCCC(C(=C)C)N(C)C)N(C)C
InChIInChI=1S/C16H32N2O/c1-13(2)15(17(5)6)9-11-19-12-10-16(14(3)4)18(7)8/h15-16H,1,3,9-12H2,2,4-8H3
InChIKeyZBVHURYRUUCFFP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds10

About 5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine

5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine (PubChem CID 139697211) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine
PubChem CID139697211
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine
SMILESC=C(C)C(CCOCCC(C(=C)C)N(C)C)N(C)C
InChIInChI=1S/C16H32N2O/c1-13(2)15(17(5)6)9-11-19-12-10-16(14(3)4)18(7)8/h15-16H,1,3,9-12H2,2,4-8H3
InChIKeyZBVHURYRUUCFFP-UHFFFAOYSA-N
XLogP2.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
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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Related Compounds

1-[3-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-5-en-3-amine
CID 57123737
6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine
CID 139697213
N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine
CID 163516266

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine?
The IUPAC name of 5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine (CID 139697211) is 5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine.
What is the SMILES notation for 5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine?
The canonical SMILES for 5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine is C=C(C)C(CCOCCC(C(=C)C)N(C)C)N(C)C.
What is the InChIKey of 5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine?
The InChIKey is ZBVHURYRUUCFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)15(17(5)6)9-11-19-12-10-16(14(3)4)18(7)8/h15-16H,1,3,9-12H2,2,4-8H3.
What are the key properties of 5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine?
5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine is sourced from PubChem (CID 139697211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).