N-(2-ethylbutyl)-3-methyloxolan-3-amine

C11H23NO — CID 115908622

IUPACN-(2-ethylbutyl)-3-methyloxolan-3-amine
SMILESCCC(CC)CNC1(C)CCOC1
InChIInChI=1S/C11H23NO/c1-4-10(5-2)8-12-11(3)6-7-13-9-11/h10,12H,4-9H2,1-3H3
InChIKeyXIMHCKULUYRFHF-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About N-(2-ethylbutyl)-3-methyloxolan-3-amine

N-(2-ethylbutyl)-3-methyloxolan-3-amine (PubChem CID 115908622) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-methyloxolan-3-amine
PubChem CID115908622
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2-ethylbutyl)-3-methyloxolan-3-amine
SMILESCCC(CC)CNC1(C)CCOC1
InChIInChI=1S/C11H23NO/c1-4-10(5-2)8-12-11(3)6-7-13-9-11/h10,12H,4-9H2,1-3H3
InChIKeyXIMHCKULUYRFHF-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-2-methyl-3-[(3-methyloxolan-3-yl)amino]propanimidamide
CID 104865243
3-[[(3-methyloxolan-3-yl)amino]methyl]pentan-3-ol
CID 114493671
2-(2,2-dimethylpropyl)-N'-(3-methyloxan-3-yl)propane-1,3-diamine
CID 114113989
(2S)-3-[(4-methyloxan-4-yl)amino]propane-1,2-diol
CID 104866602
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyloxolan-3-amine
CID 115768843
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
1-N-(3-methyloxan-3-yl)-3-phenylpropane-1,2-diamine
CID 114113980
N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine
CID 115768841
N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine
CID 130941641
3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 115768600
2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid
CID 165466861
N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
CID 113338521

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-methyloxolan-3-amine?
The IUPAC name of N-(2-ethylbutyl)-3-methyloxolan-3-amine (CID 115908622) is N-(2-ethylbutyl)-3-methyloxolan-3-amine.
What is the SMILES notation for N-(2-ethylbutyl)-3-methyloxolan-3-amine?
The canonical SMILES for N-(2-ethylbutyl)-3-methyloxolan-3-amine is CCC(CC)CNC1(C)CCOC1.
What is the InChIKey of N-(2-ethylbutyl)-3-methyloxolan-3-amine?
The InChIKey is XIMHCKULUYRFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-10(5-2)8-12-11(3)6-7-13-9-11/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(2-ethylbutyl)-3-methyloxolan-3-amine?
N-(2-ethylbutyl)-3-methyloxolan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-methyloxolan-3-amine is sourced from PubChem (CID 115908622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).