N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine

C11H19NO — CID 103580770

IUPACN-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine
SMILESC/C=C/CNC1CCOC1C1CC1
InChIInChI=1S/C11H19NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h2-3,9-12H,4-8H2,1H3/b3-2+
InChIKeyVXJJHPLKEGVIIA-NSCUHMNNSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds4

About N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine

N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103580770) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine
PubChem CID103580770
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine
SMILESC/C=C/CNC1CCOC1C1CC1
InChIInChI=1S/C11H19NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h2-3,9-12H,4-8H2,1H3/b3-2+
InChIKeyVXJJHPLKEGVIIA-NSCUHMNNSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.72
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

(1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine
CID 10855905
2-cyclopropyl-N-(3-methoxy-2-methylpropyl)oxolan-3-amine
CID 102672741
2-cyclopropyl-N-(3,3-dimethylbutyl)oxolan-3-amine
CID 102672744
2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine
CID 102672745
2-cyclopropyl-N-(3-methylbutyl)oxolan-3-amine
CID 103578739
2-cyclopropyl-N-prop-2-enyloxolan-3-amine
CID 103580651
2-cyclopropyl-N-heptyloxolan-3-amine
CID 103580652
N-but-2-ynyl-2-cyclopropyloxolan-3-amine
CID 103580655
2-cyclopropyl-N-(2-propan-2-yloxyethyl)oxolan-3-amine
CID 103580702
N-butyl-2-cyclopropyloxolan-3-amine
CID 103580713
2-cyclopropyl-N-octyloxolan-3-amine
CID 103580714
N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine
CID 103580728

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine (CID 103580770) is N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine is C/C=C/CNC1CCOC1C1CC1.
What is the InChIKey of N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is VXJJHPLKEGVIIA-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h2-3,9-12H,4-8H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine?
N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103580770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).