N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine

C16H29NO2 — CID 153293917

IUPACN,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine
SMILESC=CC(=C)CCC(OCCOCCN(C)C)C(=C)C
InChIInChI=1S/C16H29NO2/c1-7-15(4)8-9-16(14(2)3)19-13-12-18-11-10-17(5)6/h7,16H,1-2,4,8-13H2,3,5-6H3
InChIKeyXADJNKBKCAZYBJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.05
Rot. Bonds12

About N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine

N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine (PubChem CID 153293917) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine
PubChem CID153293917
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine
SMILESC=CC(=C)CCC(OCCOCCN(C)C)C(=C)C
InChIInChI=1S/C16H29NO2/c1-7-15(4)8-9-16(14(2)3)19-13-12-18-11-10-17(5)6/h7,16H,1-2,4,8-13H2,3,5-6H3
InChIKeyXADJNKBKCAZYBJ-UHFFFAOYSA-N
XLogP3.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.05
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxybutan-1-amine
CID 155483699
N,N-dimethyl-3-[(3R)-2-methyl-6-methylidenenona-1,8-dien-3-yl]oxypropan-1-amine
CID 155365754
2-methyl-6-methylideneocta-1,7-dien-3-ol
CID 534462
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine;N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[(2E)-2-methyl-6-methylideneocta-2,7-dienyl]propane-1,3-diamine;N,N-dimethyl-2-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]ethoxy]ethanamine;N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine;N,N,N'-trimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine
CID 160753914
6-(2-methoxyethoxy)-3-methylidenehex-1-ene;2-methoxyprop-1-ene
CID 144564677
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154730088
N'-[3-(dimethylamino)propyl]-N-ethyl-N-methyl-N'-(2-methyl-7-methylidenenona-1,8-dien-3-yl)butane-1,4-diamine
CID 139514334
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
CID 173097530
2-[2-(dimethylamino)ethoxy]ethyl hypoiodite
CID 138660148
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethanamine
CID 58108235

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine (CID 153293917) is N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine is C=CC(=C)CCC(OCCOCCN(C)C)C(=C)C.
What is the InChIKey of N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine?
The InChIKey is XADJNKBKCAZYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-7-15(4)8-9-16(14(2)3)19-13-12-18-11-10-17(5)6/h7,16H,1-2,4,8-13H2,3,5-6H3.
What are the key properties of N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine?
N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine has a molecular weight of 267.41 g/mol, XLogP of 3.05, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxyethoxy]ethanamine is sourced from PubChem (CID 153293917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).