4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine

C11H21NO2 — CID 130655992

IUPAC4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine
SMILESCC1(C)COCC1NCC1CCOC1
InChIInChI=1S/C11H21NO2/c1-11(2)8-14-7-10(11)12-5-9-3-4-13-6-9/h9-10,12H,3-8H2,1-2H3
InChIKeyLMMPLMFEJLIZGC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.04
Rot. Bonds3

About 4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine

4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine (PubChem CID 130655992) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine
PubChem CID130655992
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine
SMILESCC1(C)COCC1NCC1CCOC1
InChIInChI=1S/C11H21NO2/c1-11(2)8-14-7-10(11)12-5-9-3-4-13-6-9/h9-10,12H,3-8H2,1-2H3
InChIKeyLMMPLMFEJLIZGC-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 79834755
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
2-ethyl-N-(oxolan-3-ylmethyl)cyclopropan-1-amine
CID 103897099
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887835
3-[(4,4-dimethyloxolan-3-yl)amino]propanenitrile
CID 126990605
1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine
CID 119162854
1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119162853
3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine
CID 79461363
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine?
The IUPAC name of 4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine (CID 130655992) is 4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine?
The canonical SMILES for 4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine is CC1(C)COCC1NCC1CCOC1.
What is the InChIKey of 4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine?
The InChIKey is LMMPLMFEJLIZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2)8-14-7-10(11)12-5-9-3-4-13-6-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine?
4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine has a molecular weight of 199.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 130655992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).