1-(oxolan-3-yl)butan-1-amine

C8H17NO — CID 63564938

IUPAC1-(oxolan-3-yl)butan-1-amine
SMILESCCCC(N)C1CCOC1
InChIInChI=1S/C8H17NO/c1-2-3-8(9)7-4-5-10-6-7/h7-8H,2-6,9H2,1H3
InChIKeyYNKUHTZKVYYLGZ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds3

About 1-(oxolan-3-yl)butan-1-amine

1-(oxolan-3-yl)butan-1-amine (PubChem CID 63564938) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(oxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)butan-1-amine
PubChem CID63564938
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(oxolan-3-yl)butan-1-amine
SMILESCCCC(N)C1CCOC1
InChIInChI=1S/C8H17NO/c1-2-3-8(9)7-4-5-10-6-7/h7-8H,2-6,9H2,1H3
InChIKeyYNKUHTZKVYYLGZ-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
3-heptan-4-yloxolane
CID 162375259
3-(1-bromobutyl)oxolane
CID 83051784
N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
CID 104744694
1-(oxan-3-yl)heptan-1-amine
CID 65331908
1-(oxolan-3-yl)-2-propylpentan-1-ol
CID 115798272
(1R)-1-cyclopropylbutan-1-amine;hydrochloride
CID 155046187
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
CID 104747986
1-(oxolan-3-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 104746984
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)butan-1-amine?
The IUPAC name of 1-(oxolan-3-yl)butan-1-amine (CID 63564938) is 1-(oxolan-3-yl)butan-1-amine.
What is the SMILES notation for 1-(oxolan-3-yl)butan-1-amine?
The canonical SMILES for 1-(oxolan-3-yl)butan-1-amine is CCCC(N)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)butan-1-amine?
The InChIKey is YNKUHTZKVYYLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-8(9)7-4-5-10-6-7/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-(oxolan-3-yl)butan-1-amine?
1-(oxolan-3-yl)butan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)butan-1-amine is sourced from PubChem (CID 63564938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).