6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine

C16H32N2O — CID 139697213

IUPAC6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine
SMILESC=CC(CCCOCCCC(C=C)N(C)C)N(C)C
InChIInChI=1S/C16H32N2O/c1-7-15(17(3)4)11-9-13-19-14-10-12-16(8-2)18(5)6/h7-8,15-16H,1-2,9-14H2,3-6H3
InChIKeyQJNSZABWAAQNJQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds12

About 6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine

6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine (PubChem CID 139697213) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine
PubChem CID139697213
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine
SMILESC=CC(CCCOCCCC(C=C)N(C)C)N(C)C
InChIInChI=1S/C16H32N2O/c1-7-15(17(3)4)11-9-13-19-14-10-12-16(8-2)18(5)6/h7-8,15-16H,1-2,9-14H2,3-6H3
InChIKeyQJNSZABWAAQNJQ-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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Related Compounds

N,N-dimethyloct-1-en-3-amine
CID 123653053
N,N-dimethylhenicos-1-en-3-amine
CID 174322133
5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride
CID 174791441
(2S)-2-(dimethylamino)but-3-en-1-ol
CID 138983091
N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine
CID 146420485
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
3-(4-methylpentoxy)-N-prop-2-enylpropan-1-amine
CID 164556992
3-methoxy-10-octoxydec-1-ene
CID 141054986
1-(2-ethenoxyethoxy)-3-methoxypropane
CID 103177352
5-(3,3,3-trifluoropropoxy)pentan-2-ol
CID 82958309
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine
CID 142831052

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine?
The IUPAC name of 6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine (CID 139697213) is 6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine.
What is the SMILES notation for 6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine?
The canonical SMILES for 6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine is C=CC(CCCOCCCC(C=C)N(C)C)N(C)C.
What is the InChIKey of 6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine?
The InChIKey is QJNSZABWAAQNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-15(17(3)4)11-9-13-19-14-10-12-16(8-2)18(5)6/h7-8,15-16H,1-2,9-14H2,3-6H3.
What are the key properties of 6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine?
6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-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 6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine is sourced from PubChem (CID 139697213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).