N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine

C11H19NO — CID 79591341

IUPACN-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine
SMILESC(=CC1CCOC1)CCNC1CC1
InChIInChI=1S/C11H19NO/c1(2-7-12-11-4-5-11)3-10-6-8-13-9-10/h1,3,10-12H,2,4-9H2
InChIKeyOKENHIFVHGQNAU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds5

About N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine

N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine (PubChem CID 79591341) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine
PubChem CID79591341
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine
SMILESC(=CC1CCOC1)CCNC1CC1
InChIInChI=1S/C11H19NO/c1(2-7-12-11-4-5-11)3-10-6-8-13-9-10/h1,3,10-12H,2,4-9H2
InChIKeyOKENHIFVHGQNAU-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclopropanamine
CID 79591352
N-[(E)-pent-3-enyl]oxepan-4-amine
CID 115890191
N-[3-(oxolan-3-yl)propyl]cyclopropanamine
CID 64504217
N-methyl-3-(oxan-3-yl)prop-2-en-1-amine
CID 79346781
N-(5,5-dimethylhex-3-enyl)cyclopropanamine
CID 79593002
N-[(E)-4-(2-ethylcyclohexyl)but-3-enyl]cyclopropanamine
CID 79593006
N-(7,7-dimethyloct-3-enyl)cyclopropanamine
CID 79591091
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
3-[(E)-3,3-dimethylbut-1-enyl]oxolane
CID 118487558
3-(2-methoxyethenyl)oxolane
CID 67974652
N-[2-(oxolan-3-yl)ethyl]cyclohexanamine
CID 103878945
(Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid
CID 124583830

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine (CID 79591341) is N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine is C(=CC1CCOC1)CCNC1CC1.
What is the InChIKey of N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine?
The InChIKey is OKENHIFVHGQNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1(2-7-12-11-4-5-11)3-10-6-8-13-9-10/h1,3,10-12H,2,4-9H2.
What are the key properties of N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine?
N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine has a molecular weight of 181.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-3-yl)but-3-enyl]cyclopropanamine is sourced from PubChem (CID 79591341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).