2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine

C13H27NO — CID 18717519

IUPAC2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine
SMILESC=C(OCCN(CC)CC)C(C)(C)CC
InChIInChI=1S/C13H27NO/c1-7-13(5,6)12(4)15-11-10-14(8-2)9-3/h4,7-11H2,1-3,5-6H3
InChIKeyMRPVBVYGDLDSQC-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.29
Rot. Bonds8

About 2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine

2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine (PubChem CID 18717519) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine
PubChem CID18717519
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine
SMILESC=C(OCCN(CC)CC)C(C)(C)CC
InChIInChI=1S/C13H27NO/c1-7-13(5,6)12(4)15-11-10-14(8-2)9-3/h4,7-11H2,1-3,5-6H3
InChIKeyMRPVBVYGDLDSQC-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-prop-1-en-2-yloxyethanamine
CID 57188475
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
2-(diethylamino)ethyl 2-iodo-2-methylpropanoate
CID 162508851
2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate
CID 91507579
2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium
CID 58875575
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane
CID 59422040
3-[2-(diethylamino)ethoxymethyl]pentan-3-amine
CID 64571654
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659271
2-(diethylamino)ethyl 2-methylhexa-2,5-dienoate
CID 173337637
chloromethyl 2-(diethylamino)ethyl carbonate
CID 54133141

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine?
The IUPAC name of 2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine (CID 18717519) is 2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine is C=C(OCCN(CC)CC)C(C)(C)CC.
What is the InChIKey of 2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine?
The InChIKey is MRPVBVYGDLDSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-13(5,6)12(4)15-11-10-14(8-2)9-3/h4,7-11H2,1-3,5-6H3.
What are the key properties of 2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine?
2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine has a molecular weight of 213.36 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine is sourced from PubChem (CID 18717519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).