(2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine

C12H23NO — CID 82836809

IUPAC(2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
SMILESCCCNC/C(=C\C1CCCO1)CC
InChIInChI=1S/C12H23NO/c1-3-7-13-10-11(4-2)9-12-6-5-8-14-12/h9,12-13H,3-8,10H2,1-2H3/b11-9-
InChIKeyFFRJRQGIXMXGRJ-LUAWRHEFSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

About (2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine

(2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine (PubChem CID 82836809) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine.

Molecular Properties

Compound Name(2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
PubChem CID82836809
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
SMILESCCCNC/C(=C\C1CCCO1)CC
InChIInChI=1S/C12H23NO/c1-3-7-13-10-11(4-2)9-12-6-5-8-14-12/h9,12-13H,3-8,10H2,1-2H3/b11-9-
InChIKeyFFRJRQGIXMXGRJ-LUAWRHEFSA-N
XLogP2.50
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 ≤ 52.50
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 (2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine?
The IUPAC name of (2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine (CID 82836809) is (2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine.
What is the SMILES notation for (2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine?
The canonical SMILES for (2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine is CCCNC/C(=C\C1CCCO1)CC.
What is the InChIKey of (2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine?
The InChIKey is FFRJRQGIXMXGRJ-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-7-13-10-11(4-2)9-12-6-5-8-14-12/h9,12-13H,3-8,10H2,1-2H3/b11-9-.
What are the key properties of (2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine?
(2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine is sourced from PubChem (CID 82836809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).