N-(oxolan-3-ylmethyl)but-3-en-2-amine

C9H17NO — CID 115887872

IUPACN-(oxolan-3-ylmethyl)but-3-en-2-amine
SMILESC=CC(C)NCC1CCOC1
InChIInChI=1S/C9H17NO/c1-3-8(2)10-6-9-4-5-11-7-9/h3,8-10H,1,4-7H2,2H3
InChIKeyRVBXAXGODGLMCD-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.19
Rot. Bonds4

About N-(oxolan-3-ylmethyl)but-3-en-2-amine

N-(oxolan-3-ylmethyl)but-3-en-2-amine (PubChem CID 115887872) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)but-3-en-2-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)but-3-en-2-amine
PubChem CID115887872
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(oxolan-3-ylmethyl)but-3-en-2-amine
SMILESC=CC(C)NCC1CCOC1
InChIInChI=1S/C9H17NO/c1-3-8(2)10-6-9-4-5-11-7-9/h3,8-10H,1,4-7H2,2H3
InChIKeyRVBXAXGODGLMCD-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 134457089
N-(oxan-4-ylmethyl)pent-4-en-2-amine
CID 115685663
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 61313229
4-methyl-3-(oxolan-3-ylmethylamino)pentan-1-ol
CID 115887731
1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191196
1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 61477177
4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 115887609
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
CID 43751776
1-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920670

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)but-3-en-2-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)but-3-en-2-amine (CID 115887872) is N-(oxolan-3-ylmethyl)but-3-en-2-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)but-3-en-2-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)but-3-en-2-amine is C=CC(C)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)but-3-en-2-amine?
The InChIKey is RVBXAXGODGLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(2)10-6-9-4-5-11-7-9/h3,8-10H,1,4-7H2,2H3.
What are the key properties of N-(oxolan-3-ylmethyl)but-3-en-2-amine?
N-(oxolan-3-ylmethyl)but-3-en-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)but-3-en-2-amine is sourced from PubChem (CID 115887872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).