1-(1-methoxyethoxy)butan-1-amine

C7H17NO2 — CID 19838576

IUPAC1-(1-methoxyethoxy)butan-1-amine
SMILESCCCC(N)OC(C)OC
InChIInChI=1S/C7H17NO2/c1-4-5-7(8)10-6(2)9-3/h6-7H,4-5,8H2,1-3H3
InChIKeyUJLPPZPSTBDQEK-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.08
Rot. Bonds5

About 1-(1-methoxyethoxy)butan-1-amine

1-(1-methoxyethoxy)butan-1-amine (PubChem CID 19838576) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-(1-methoxyethoxy)butan-1-amine.

Molecular Properties

Compound Name1-(1-methoxyethoxy)butan-1-amine
PubChem CID19838576
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-(1-methoxyethoxy)butan-1-amine
SMILESCCCC(N)OC(C)OC
InChIInChI=1S/C7H17NO2/c1-4-5-7(8)10-6(2)9-3/h6-7H,4-5,8H2,1-3H3
InChIKeyUJLPPZPSTBDQEK-UHFFFAOYSA-N
XLogP1.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1-methoxyethoxy)hexane
CID 145051636
O-hexan-2-ylhydroxylamine;1-(1-methoxyethoxy)ethanamine
CID 89466320
(4R)-3-methoxy-2-methylheptan-4-amine
CID 104932507
(2S)-pentan-2-amine
CID 6997344
2-(1-methoxyethoxy)dodecane
CID 121368896
1-dimethylsilyloxybutan-1-amine
CID 173147624
1-hexan-3-yloxyhexan-1-amine
CID 19371183
2-methoxy-5-methyloctan-3-amine
CID 79616792
pentan-2-amine;propane
CID 166536368
3-methoxy-2-methylhexane
CID 23384964
3-ethyl-1-(1-methoxyethoxy)hexane
CID 145144290
1-methoxy-3-methylhexan-2-amine
CID 105008836

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethoxy)butan-1-amine?
The IUPAC name of 1-(1-methoxyethoxy)butan-1-amine (CID 19838576) is 1-(1-methoxyethoxy)butan-1-amine.
What is the SMILES notation for 1-(1-methoxyethoxy)butan-1-amine?
The canonical SMILES for 1-(1-methoxyethoxy)butan-1-amine is CCCC(N)OC(C)OC.
What is the InChIKey of 1-(1-methoxyethoxy)butan-1-amine?
The InChIKey is UJLPPZPSTBDQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-4-5-7(8)10-6(2)9-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1-(1-methoxyethoxy)butan-1-amine?
1-(1-methoxyethoxy)butan-1-amine has a molecular weight of 147.22 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethoxy)butan-1-amine is sourced from PubChem (CID 19838576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).