N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene

C14H31NO — CID 142009383

IUPACN-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene
SMILESC=CC.CCN(CCOC)CCC(C)(C)C
InChIInChI=1S/C11H25NO.C3H6/c1-6-12(9-10-13-5)8-7-11(2,3)4;1-3-2/h6-10H2,1-5H3;3H,1H2,2H3
InChIKeyNSRAENQDKYYGDA-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.58
Rot. Bonds6

About N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene

N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene (PubChem CID 142009383) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene
PubChem CID142009383
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene
SMILESC=CC.CCN(CCOC)CCC(C)(C)C
InChIInChI=1S/C11H25NO.C3H6/c1-6-12(9-10-13-5)8-7-11(2,3)4;1-3-2/h6-10H2,1-5H3;3H,1H2,2H3
InChIKeyNSRAENQDKYYGDA-UHFFFAOYSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene (CID 142009383) is N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene is C=CC.CCN(CCOC)CCC(C)(C)C.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene?
The InChIKey is NSRAENQDKYYGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO.C3H6/c1-6-12(9-10-13-5)8-7-11(2,3)4;1-3-2/h6-10H2,1-5H3;3H,1H2,2H3.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene?
N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene has a molecular weight of 229.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene is sourced from PubChem (CID 142009383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).