N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine

C12H21NO — CID 82836925

IUPACN-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine
SMILESCC/C(=C\C1CCCO1)CNC1CC1
InChIInChI=1S/C12H21NO/c1-2-10(9-13-11-5-6-11)8-12-4-3-7-14-12/h8,11-13H,2-7,9H2,1H3/b10-8+
InChIKeyASOGBNLWJOCVTQ-CSKARUKUSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds5

About N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine

N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine (PubChem CID 82836925) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine
PubChem CID82836925
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine
SMILESCC/C(=C\C1CCCO1)CNC1CC1
InChIInChI=1S/C12H21NO/c1-2-10(9-13-11-5-6-11)8-12-4-3-7-14-12/h8,11-13H,2-7,9H2,1H3/b10-8+
InChIKeyASOGBNLWJOCVTQ-CSKARUKUSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
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-(oxolan-2-ylmethylidene)butyl]cyclopropanamine?
The IUPAC name of N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine (CID 82836925) is N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine.
What is the SMILES notation for N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine?
The canonical SMILES for N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine is CC/C(=C\C1CCCO1)CNC1CC1.
What is the InChIKey of N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine?
The InChIKey is ASOGBNLWJOCVTQ-CSKARUKUSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-10(9-13-11-5-6-11)8-12-4-3-7-14-12/h8,11-13H,2-7,9H2,1H3/b10-8+.
What are the key properties of N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine?
N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(oxolan-2-ylmethylidene)butyl]cyclopropanamine is sourced from PubChem (CID 82836925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).