3-(3-methoxy-3-methylbutoxy)propan-1-amine

C9H21NO2 — CID 103034470

IUPAC3-(3-methoxy-3-methylbutoxy)propan-1-amine
SMILESCOC(C)(C)CCOCCCN
InChIInChI=1S/C9H21NO2/c1-9(2,11-3)5-8-12-7-4-6-10/h4-8,10H2,1-3H3
InChIKeyYLUBSBRLFSMFOU-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.17
Rot. Bonds7

About 3-(3-methoxy-3-methylbutoxy)propan-1-amine

3-(3-methoxy-3-methylbutoxy)propan-1-amine (PubChem CID 103034470) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)propan-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)propan-1-amine
PubChem CID103034470
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-(3-methoxy-3-methylbutoxy)propan-1-amine
SMILESCOC(C)(C)CCOCCCN
InChIInChI=1S/C9H21NO2/c1-9(2,11-3)5-8-12-7-4-6-10/h4-8,10H2,1-3H3
InChIKeyYLUBSBRLFSMFOU-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.17
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

3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide
CID 106668491
2-amino-5-(3-methoxy-3-methylbutoxy)-2-methylpentanenitrile
CID 106666621
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol
CID 106810758
5-(3-methoxy-3-methylbutoxy)-2,2-dimethylpentanoic acid
CID 106668336
4-(3-methoxy-3-methylbutoxy)pentan-1-amine
CID 106667811
N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine
CID 144530109
2-(3-methoxy-3-methylbutoxy)ethanethioamide
CID 106665735
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylpentan-1-amine
CID 88566862
2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid
CID 106664715

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)propan-1-amine?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)propan-1-amine (CID 103034470) is 3-(3-methoxy-3-methylbutoxy)propan-1-amine.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)propan-1-amine?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)propan-1-amine is COC(C)(C)CCOCCCN.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)propan-1-amine?
The InChIKey is YLUBSBRLFSMFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2,11-3)5-8-12-7-4-6-10/h4-8,10H2,1-3H3.
What are the key properties of 3-(3-methoxy-3-methylbutoxy)propan-1-amine?
3-(3-methoxy-3-methylbutoxy)propan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)propan-1-amine is sourced from PubChem (CID 103034470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).