4-(1,2-oxazolidin-2-yl)butan-1-amine

C7H16N2O — CID 174498619

IUPAC4-(1,2-oxazolidin-2-yl)butan-1-amine
SMILESNCCCCN1CCCO1
InChIInChI=1S/C7H16N2O/c8-4-1-2-5-9-6-3-7-10-9/h1-8H2
InChIKeyHCRVFIOPXXSDKE-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.36
Rot. Bonds4

About 4-(1,2-oxazolidin-2-yl)butan-1-amine

4-(1,2-oxazolidin-2-yl)butan-1-amine (PubChem CID 174498619) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 4-(1,2-oxazolidin-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1,2-oxazolidin-2-yl)butan-1-amine
PubChem CID174498619
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name4-(1,2-oxazolidin-2-yl)butan-1-amine
SMILESNCCCCN1CCCO1
InChIInChI=1S/C7H16N2O/c8-4-1-2-5-9-6-3-7-10-9/h1-8H2
InChIKeyHCRVFIOPXXSDKE-UHFFFAOYSA-N
XLogP0.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.36
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

2-(1,2-Oxazolidin-2-yl)ethan-1-aminedihydrochloride
CID 155820371
2-Methanidyl-1,2-oxazolidin-2-ium
CID 57868334
2-(1,2-Oxazolidin-2-yl)ethan-1-amine
CID 104101481
N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 117126803
N-ethyl-2-methyl-1,2-oxazolidin-5-amine
CID 138576423
N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine
CID 146428018
2-Pyrrolidin-1-yloxyethanamine
CID 154383313
ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 177004561
N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine
CID 64974363
N-ethoxy-2-pyrrolidin-1-ylethanamine
CID 103864704
3-(1,2-Oxazolidin-2-yl)cyclobutan-1-amine
CID 104104879
3-(1,2-Oxazolidin-2-yl)propan-1-amine
CID 104104880

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazolidin-2-yl)butan-1-amine?
The IUPAC name of 4-(1,2-oxazolidin-2-yl)butan-1-amine (CID 174498619) is 4-(1,2-oxazolidin-2-yl)butan-1-amine.
What is the SMILES notation for 4-(1,2-oxazolidin-2-yl)butan-1-amine?
The canonical SMILES for 4-(1,2-oxazolidin-2-yl)butan-1-amine is NCCCCN1CCCO1.
What is the InChIKey of 4-(1,2-oxazolidin-2-yl)butan-1-amine?
The InChIKey is HCRVFIOPXXSDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c8-4-1-2-5-9-6-3-7-10-9/h1-8H2.
What are the key properties of 4-(1,2-oxazolidin-2-yl)butan-1-amine?
4-(1,2-oxazolidin-2-yl)butan-1-amine has a molecular weight of 144.22 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazolidin-2-yl)butan-1-amine is sourced from PubChem (CID 174498619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).