N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine

C12H25NO — CID 103138418

IUPACN-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine
SMILESCCNCC(C)(C)CC1CCC(C)O1
InChIInChI=1S/C12H25NO/c1-5-13-9-12(3,4)8-11-7-6-10(2)14-11/h10-11,13H,5-9H2,1-4H3
InChIKeyRLXSYGJXKFPASO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds5

About N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine

N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine (PubChem CID 103138418) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine
PubChem CID103138418
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine
SMILESCCNCC(C)(C)CC1CCC(C)O1
InChIInChI=1S/C12H25NO/c1-5-13-9-12(3,4)8-11-7-6-10(2)14-11/h10-11,13H,5-9H2,1-4H3
InChIKeyRLXSYGJXKFPASO-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine (CID 103138418) is N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine is CCNCC(C)(C)CC1CCC(C)O1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The InChIKey is RLXSYGJXKFPASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-13-9-12(3,4)8-11-7-6-10(2)14-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine?
N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(5-methyloxolan-2-yl)propan-1-amine is sourced from PubChem (CID 103138418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).