N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium

C9H18LrNO- — CID 18339631

IUPACN-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium
SMILESC[CH-]NC1C(C)OC(C)C1C.[Lr]
InChIInChI=1S/C9H18NO.Lr/c1-5-10-9-6(2)7(3)11-8(9)4;/h5-10H,1-4H3;/q-1;
InChIKeyMEGVELDWOSGAKS-UHFFFAOYSA-N
MW418.25 g/mol
LogP1.57
Rot. Bonds2

About N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium

N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium (PubChem CID 18339631) has the molecular formula C9H18LrNO- and a molecular weight of 418.25 g/mol. Its IUPAC name is N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium.

Molecular Properties

Compound NameN-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium
PubChem CID18339631
Molecular FormulaC9H18LrNO-
Molecular Weight418.25 g/mol
Exact Mass418.25
IUPAC NameN-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium
SMILESC[CH-]NC1C(C)OC(C)C1C.[Lr]
InChIInChI=1S/C9H18NO.Lr/c1-5-10-9-6(2)7(3)11-8(9)4;/h5-10H,1-4H3;/q-1;
InChIKeyMEGVELDWOSGAKS-UHFFFAOYSA-N
XLogP1.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oxazolidine, 4-ethyl-2-methyl-2-(3-methylbutyl)-
CID 5105001
4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
4-Ethyl-2-methyl-2-(2-methylpropyl)-1,3-oxazolidine
CID 19920832
(4S)-4-[(2R)-butan-2-yl]-2,2-dimethyl-1,3-oxazolidine
CID 91064599
(2S,4S)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995025
(2R,4S)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995028
(2S,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995031
(2R,4R)-4-(2-fluoroethoxy)-2-propan-2-ylpyrrolidine
CID 99995033
(2R,4S)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995037
(2S,4S)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995039
(2R,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995042
(2S,4R)-4-(2-fluoroethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99995044

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium?
The IUPAC name of N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium (CID 18339631) is N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium.
What is the SMILES notation for N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium?
The canonical SMILES for N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium is C[CH-]NC1C(C)OC(C)C1C.[Lr].
What is the InChIKey of N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium?
The InChIKey is MEGVELDWOSGAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO.Lr/c1-5-10-9-6(2)7(3)11-8(9)4;/h5-10H,1-4H3;/q-1;.
What are the key properties of N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium?
N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium has a molecular weight of 418.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium is sourced from PubChem (CID 18339631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).