3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine

C13H27NO2 — CID 62485593

IUPAC3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine
SMILESCCCNCC(OCC1CCOC1)C(C)C
InChIInChI=1S/C13H27NO2/c1-4-6-14-8-13(11(2)3)16-10-12-5-7-15-9-12/h11-14H,4-10H2,1-3H3
InChIKeyOPTBZTZFVHLXCL-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.06
Rot. Bonds8

About 3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine

3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine (PubChem CID 62485593) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine
PubChem CID62485593
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine
SMILESCCCNCC(OCC1CCOC1)C(C)C
InChIInChI=1S/C13H27NO2/c1-4-6-14-8-13(11(2)3)16-10-12-5-7-15-9-12/h11-14H,4-10H2,1-3H3
InChIKeyOPTBZTZFVHLXCL-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.06
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

N-ethyl-3-methyl-2-(oxolan-3-ylmethoxy)butan-1-amine
CID 62485416
N-[3-methyl-2-(oxolan-3-ylmethoxy)butyl]cyclopropanamine
CID 62485595
2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 62484584
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 103228633
2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62457054
3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
CID 103987457
3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine
CID 114999123
2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine
CID 103074792
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435
N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382055
2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55092213

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine (CID 62485593) is 3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine is CCCNCC(OCC1CCOC1)C(C)C.
What is the InChIKey of 3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine?
The InChIKey is OPTBZTZFVHLXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-6-14-8-13(11(2)3)16-10-12-5-7-15-9-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine?
3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 62485593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).