2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine

C12H25NO — CID 102640507

IUPAC2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCCC)CNC
InChIInChI=1S/C12H25NO/c1-5-7-9-14-10-8-12(3,6-2)11-13-4/h6,13H,2,5,7-11H2,1,3-4H3
InChIKeyRBHPIAAWGHTYKP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds9

About 2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine

2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine (PubChem CID 102640507) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine
PubChem CID102640507
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CCOCCCC)CNC
InChIInChI=1S/C12H25NO/c1-5-7-9-14-10-8-12(3,6-2)11-13-4/h6,13H,2,5,7-11H2,1,3-4H3
InChIKeyRBHPIAAWGHTYKP-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640593
N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640758
2-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640923
2-methyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719718
4-butoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938542
4-ethoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938639
2-(2-Methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine
CID 144887236
4-pent-4-enoxy-N-propylbutan-1-amine
CID 79112687
N-methyl-4-pent-4-enoxybutan-1-amine
CID 79112838
N-ethyl-4-pent-4-enoxybutan-1-amine
CID 79113465
3,3-dimethyl-N-(2-pent-4-enoxyethyl)butan-1-amine
CID 79113987

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine?
The IUPAC name of 2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine (CID 102640507) is 2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine is C=CC(C)(CCOCCCC)CNC.
What is the InChIKey of 2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine?
The InChIKey is RBHPIAAWGHTYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-9-14-10-8-12(3,6-2)11-13-4/h6,13H,2,5,7-11H2,1,3-4H3.
What are the key properties of 2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine?
2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine is sourced from PubChem (CID 102640507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).