4-(oxolan-3-yl)-N-propylpent-3-en-1-amine

C12H23NO — CID 79598855

IUPAC4-(oxolan-3-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)C1CCOC1
InChIInChI=1S/C12H23NO/c1-3-7-13-8-4-5-11(2)12-6-9-14-10-12/h5,12-13H,3-4,6-10H2,1-2H3
InChIKeySQQCHDQLBHGNOC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds6

About 4-(oxolan-3-yl)-N-propylpent-3-en-1-amine

4-(oxolan-3-yl)-N-propylpent-3-en-1-amine (PubChem CID 79598855) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name4-(oxolan-3-yl)-N-propylpent-3-en-1-amine
PubChem CID79598855
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(oxolan-3-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)C1CCOC1
InChIInChI=1S/C12H23NO/c1-3-7-13-8-4-5-11(2)12-6-9-14-10-12/h5,12-13H,3-4,6-10H2,1-2H3
InChIKeySQQCHDQLBHGNOC-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of 4-(oxolan-3-yl)-N-propylpent-3-en-1-amine (CID 79598855) is 4-(oxolan-3-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 4-(oxolan-3-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 4-(oxolan-3-yl)-N-propylpent-3-en-1-amine is CCCNCCC=C(C)C1CCOC1.
What is the InChIKey of 4-(oxolan-3-yl)-N-propylpent-3-en-1-amine?
The InChIKey is SQQCHDQLBHGNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-7-13-8-4-5-11(2)12-6-9-14-10-12/h5,12-13H,3-4,6-10H2,1-2H3.
What are the key properties of 4-(oxolan-3-yl)-N-propylpent-3-en-1-amine?
4-(oxolan-3-yl)-N-propylpent-3-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79598855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).