4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine

C13H25NO2 — CID 115921836

IUPAC4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine
SMILESCC(CC1CCCO1)NC1(C)CCOCC1
InChIInChI=1S/C13H25NO2/c1-11(10-12-4-3-7-16-12)14-13(2)5-8-15-9-6-13/h11-12,14H,3-10H2,1-2H3
InChIKeyFPKAHOVDSVNSSQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds4

About 4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine

4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine (PubChem CID 115921836) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine
PubChem CID115921836
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine
SMILESCC(CC1CCCO1)NC1(C)CCOCC1
InChIInChI=1S/C13H25NO2/c1-11(10-12-4-3-7-16-12)14-13(2)5-8-15-9-6-13/h11-12,14H,3-10H2,1-2H3
InChIKeyFPKAHOVDSVNSSQ-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
1-(oxolan-2-yl)-N-[1-(oxolan-2-yl)ethyl]propan-2-amine
CID 115709344
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
N-benzyl-1-(oxolan-2-yl)propan-2-amine
CID 122156962
N-[(2-methylcyclopropyl)methyl]-1-(oxolan-2-yl)propan-2-amine
CID 115713100
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine
CID 115725763
2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine
CID 115717829
2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115705336
2-amino-2-(oxan-4-yl)-N-[1-(oxolan-2-yl)propan-2-yl]acetamide;hydrochloride
CID 120791201
(2R)-2-(2-methylpropyl)oxane
CID 58653197

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine (CID 115921836) is 4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine is CC(CC1CCCO1)NC1(C)CCOCC1.
What is the InChIKey of 4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine?
The InChIKey is FPKAHOVDSVNSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(10-12-4-3-7-16-12)14-13(2)5-8-15-9-6-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine?
4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine has a molecular weight of 227.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(oxolan-2-yl)propan-2-yl]oxan-4-amine is sourced from PubChem (CID 115921836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).