N-(3-methoxy-3-methylbutyl)oxolan-3-amine

C10H21NO2 — CID 103033459

IUPACN-(3-methoxy-3-methylbutyl)oxolan-3-amine
SMILESCOC(C)(C)CCNC1CCOC1
InChIInChI=1S/C10H21NO2/c1-10(2,12-3)5-6-11-9-4-7-13-8-9/h9,11H,4-8H2,1-3H3
InChIKeyNJNFGTIZZNQBCU-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)oxolan-3-amine

N-(3-methoxy-3-methylbutyl)oxolan-3-amine (PubChem CID 103033459) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)oxolan-3-amine
PubChem CID103033459
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(3-methoxy-3-methylbutyl)oxolan-3-amine
SMILESCOC(C)(C)CCNC1CCOC1
InChIInChI=1S/C10H21NO2/c1-10(2,12-3)5-6-11-9-4-7-13-8-9/h9,11H,4-8H2,1-3H3
InChIKeyNJNFGTIZZNQBCU-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 57326560
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
(3S)-3-(1,1-dimethylethoxy)Pyrrolidine
CID 55299896
(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 57326559
(2S,4R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 57326561
1-ethoxy-4-methoxy-N,4-dimethylpentan-2-amine
CID 103028523
1-ethoxy-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103028525
1-ethoxy-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028526
4-methoxy-N,4-dimethyl-1-propoxypentan-2-amine
CID 103028527
N-ethyl-4-methoxy-4-methyl-1-propoxypentan-2-amine
CID 103028529
4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine
CID 103028530
N-ethyl-1,4-dimethoxy-4-methylpentan-2-amine
CID 103028533

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)oxolan-3-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)oxolan-3-amine (CID 103033459) is N-(3-methoxy-3-methylbutyl)oxolan-3-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)oxolan-3-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)oxolan-3-amine is COC(C)(C)CCNC1CCOC1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)oxolan-3-amine?
The InChIKey is NJNFGTIZZNQBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,12-3)5-6-11-9-4-7-13-8-9/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)oxolan-3-amine?
N-(3-methoxy-3-methylbutyl)oxolan-3-amine has a molecular weight of 187.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)oxolan-3-amine is sourced from PubChem (CID 103033459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).