2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine

C13H27NO2 — CID 43205736

IUPAC2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
SMILESCCC(C)CNCCCOCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-12(2)10-14-7-5-8-15-11-13-6-4-9-16-13/h12-14H,3-11H2,1-2H3
InChIKeyISTBFLWTGXWLJH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds9

About 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine

2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine (PubChem CID 43205736) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
PubChem CID43205736
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
SMILESCCC(C)CNCCCOCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-12(2)10-14-7-5-8-15-11-13-6-4-9-16-13/h12-14H,3-11H2,1-2H3
InChIKeyISTBFLWTGXWLJH-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
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-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62443749
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 55088682
N-[2-(oxolan-2-ylmethoxy)ethyl]butan-2-amine
CID 62572646
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697
1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine
CID 102868081
N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine
CID 106800771
4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine
CID 43147199
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine (CID 43205736) is 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine is CCC(C)CNCCCOCC1CCCO1.
What is the InChIKey of 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine?
The InChIKey is ISTBFLWTGXWLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-12(2)10-14-7-5-8-15-11-13-6-4-9-16-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine?
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine is sourced from PubChem (CID 43205736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).