2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine

C12H25NO2 — CID 115690996

IUPAC2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine
SMILESCC(C)(C)CNCCCOC1CCOC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)10-13-6-4-7-15-11-5-8-14-9-11/h11,13H,4-10H2,1-3H3
InChIKeyGFCPJHLBZIZGSQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds6

About 2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine

2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine (PubChem CID 115690996) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine
PubChem CID115690996
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine
SMILESCC(C)(C)CNCCCOC1CCOC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)10-13-6-4-7-15-11-5-8-14-9-11/h11,13H,4-10H2,1-3H3
InChIKeyGFCPJHLBZIZGSQ-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine
CID 115757125
2-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]propanamide;hydrochloride
CID 119340219
2-methoxy-N-[2-(oxolan-3-yloxy)ethyl]ethanamine
CID 63558119
1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine
CID 115727743
2-methyl-1-(oxolan-3-yloxy)-3-(propylamino)propan-2-ol
CID 66335508
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
(3R)-3-(3-bromopropoxy)oxolane
CID 95240996
3-propoxyoxolane
CID 14071397
N-(furan-2-ylmethyl)-3-(oxolan-3-yloxy)propan-1-amine
CID 115690981
N-(2-cyclopentyloxyethyl)-2,2-dimethylpropan-1-amine
CID 63001166
2-methyl-2-(methylamino)-5-(oxolan-3-yloxy)pentanoic acid
CID 63557693
2-amino-2-methyl-5-(oxolan-3-yloxy)pentanamide
CID 63557887

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine (CID 115690996) is 2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine is CC(C)(C)CNCCCOC1CCOC1.
What is the InChIKey of 2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine?
The InChIKey is GFCPJHLBZIZGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)10-13-6-4-7-15-11-5-8-14-9-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine?
2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(oxolan-3-yloxy)propyl]propan-1-amine is sourced from PubChem (CID 115690996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).