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

C8H19NO2 — CID 174673469

IUPAC1-(oxolan-3-yl)butan-1-amine;hydrate
SMILESCCCC(N)C1CCOC1.O
InChIInChI=1S/C8H17NO.H2O/c1-2-3-8(9)7-4-5-10-6-7;/h7-8H,2-6,9H2,1H3;1H2
InChIKeyIEJLSNAKNBGKCC-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.33
Rot. Bonds3

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

1-(oxolan-3-yl)butan-1-amine;hydrate (PubChem CID 174673469) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-(oxolan-3-yl)butan-1-amine;hydrate.

Molecular Properties

Compound Name1-(oxolan-3-yl)butan-1-amine;hydrate
PubChem CID174673469
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-(oxolan-3-yl)butan-1-amine;hydrate
SMILESCCCC(N)C1CCOC1.O
InChIInChI=1S/C8H17NO.H2O/c1-2-3-8(9)7-4-5-10-6-7;/h7-8H,2-6,9H2,1H3;1H2
InChIKeyIEJLSNAKNBGKCC-UHFFFAOYSA-N
XLogP0.33
TPSA66.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-yl)butan-1-amine
CID 63564938
3-heptan-4-yloxolane
CID 162375259
3-(1-bromobutyl)oxolane
CID 83051784
1-(oxan-3-yl)heptan-1-amine
CID 65331908
N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
CID 104744694
1-(oxolan-3-yl)-2-propylpentan-1-ol
CID 115798272
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
3-(oxolan-3-yl)hexanenitrile
CID 142587151
azane;1-cyclobutylbutan-1-amine;dihydrate
CID 140660348
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

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)butan-1-amine;hydrate?
The IUPAC name of 1-(oxolan-3-yl)butan-1-amine;hydrate (CID 174673469) is 1-(oxolan-3-yl)butan-1-amine;hydrate.
What is the SMILES notation for 1-(oxolan-3-yl)butan-1-amine;hydrate?
The canonical SMILES for 1-(oxolan-3-yl)butan-1-amine;hydrate is CCCC(N)C1CCOC1.O.
What is the InChIKey of 1-(oxolan-3-yl)butan-1-amine;hydrate?
The InChIKey is IEJLSNAKNBGKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.H2O/c1-2-3-8(9)7-4-5-10-6-7;/h7-8H,2-6,9H2,1H3;1H2.
What are the key properties of 1-(oxolan-3-yl)butan-1-amine;hydrate?
1-(oxolan-3-yl)butan-1-amine;hydrate has a molecular weight of 161.24 g/mol, XLogP of 0.33, 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;hydrate is sourced from PubChem (CID 174673469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).