N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine

C13H21NO — CID 79329918

IUPACN-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine
SMILESCC/C(=C\C1CCC=CO1)CNC1CC1
InChIInChI=1S/C13H21NO/c1-2-11(10-14-12-6-7-12)9-13-5-3-4-8-15-13/h4,8-9,12-14H,2-3,5-7,10H2,1H3/b11-9+
InChIKeyRIZYEESRUDDSPG-PKNBQFBNSA-N
MW207.32 g/mol
LogP2.77
Rot. Bonds5

About N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine

N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine (PubChem CID 79329918) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine
PubChem CID79329918
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine
SMILESCC/C(=C\C1CCC=CO1)CNC1CC1
InChIInChI=1S/C13H21NO/c1-2-11(10-14-12-6-7-12)9-13-5-3-4-8-15-13/h4,8-9,12-14H,2-3,5-7,10H2,1H3/b11-9+
InChIKeyRIZYEESRUDDSPG-PKNBQFBNSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine?
The IUPAC name of N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine (CID 79329918) is N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine.
What is the SMILES notation for N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine?
The canonical SMILES for N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine is CC/C(=C\C1CCC=CO1)CNC1CC1.
What is the InChIKey of N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine?
The InChIKey is RIZYEESRUDDSPG-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-11(10-14-12-6-7-12)9-13-5-3-4-8-15-13/h4,8-9,12-14H,2-3,5-7,10H2,1H3/b11-9+.
What are the key properties of N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine?
N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine has a molecular weight of 207.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butyl]cyclopropanamine is sourced from PubChem (CID 79329918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).