4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine

C15H31NO3 — CID 43147199

IUPAC4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCCOCC1CCCO1
InChIInChI=1S/C15H31NO3/c1-13(11-15(2,3)17-4)16-8-6-9-18-12-14-7-5-10-19-14/h13-14,16H,5-12H2,1-4H3
InChIKeyAHZMSRFKKSCCIV-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.37
Rot. Bonds10

About 4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine

4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine (PubChem CID 43147199) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine
PubChem CID43147199
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCCOCC1CCCO1
InChIInChI=1S/C15H31NO3/c1-13(11-15(2,3)17-4)16-8-6-9-18-12-14-7-5-10-19-14/h13-14,16H,5-12H2,1-4H3
InChIKeyAHZMSRFKKSCCIV-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697
N-[2-(oxolan-2-ylmethoxy)ethyl]butan-2-amine
CID 62572646
1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine
CID 102868081
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
CID 43205736
2-methyl-6-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 64803380
N-[1-(3,5-dimethylphenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 81296850
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115710165
N-[1-(4-iodophenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43770023
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104626329
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclohexan-1-amine
CID 43182518

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine (CID 43147199) is 4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine is COC(C)(C)CC(C)NCCCOCC1CCCO1.
What is the InChIKey of 4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine?
The InChIKey is AHZMSRFKKSCCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-13(11-15(2,3)17-4)16-8-6-9-18-12-14-7-5-10-19-14/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine?
4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine is sourced from PubChem (CID 43147199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).