N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine

C11H19NO — CID 103580728

IUPACN-but-3-en-2-yl-2-cyclopropyloxolan-3-amine
SMILESC=CC(C)NC1CCOC1C1CC1
InChIInChI=1S/C11H19NO/c1-3-8(2)12-10-6-7-13-11(10)9-4-5-9/h3,8-12H,1,4-7H2,2H3
InChIKeyTYYDATPAUKDSKI-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds4

About N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine

N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine (PubChem CID 103580728) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-cyclopropyloxolan-3-amine
PubChem CID103580728
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-but-3-en-2-yl-2-cyclopropyloxolan-3-amine
SMILESC=CC(C)NC1CCOC1C1CC1
InChIInChI=1S/C11H19NO/c1-3-8(2)12-10-6-7-13-11(10)9-4-5-9/h3,8-12H,1,4-7H2,2H3
InChIKeyTYYDATPAUKDSKI-UHFFFAOYSA-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-(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
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
2-cyclopropyl-N-(2-methoxyethyl)oxolan-3-amine
CID 103580737
2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine
CID 103580752
2-cyclopropyl-N-ethyloxolan-3-amine
CID 103580759

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine (CID 103580728) is N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine is C=CC(C)NC1CCOC1C1CC1.
What is the InChIKey of N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine?
The InChIKey is TYYDATPAUKDSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-8(2)12-10-6-7-13-11(10)9-4-5-9/h3,8-12H,1,4-7H2,2H3.
What are the key properties of N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine?
N-but-3-en-2-yl-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-but-3-en-2-yl-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103580728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).