N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine

C10H19NO — CID 79186290

IUPACN,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine
SMILESC=C(C)CC(NC)C1CCOC1
InChIInChI=1S/C10H19NO/c1-8(2)6-10(11-3)9-4-5-12-7-9/h9-11H,1,4-7H2,2-3H3
InChIKeyJOMGEGBIMJQNEP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine

N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine (PubChem CID 79186290) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine
PubChem CID79186290
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine
SMILESC=C(C)CC(NC)C1CCOC1
InChIInChI=1S/C10H19NO/c1-8(2)6-10(11-3)9-4-5-12-7-9/h9-11H,1,4-7H2,2-3H3
InChIKeyJOMGEGBIMJQNEP-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
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

N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62077856
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62078856
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62079074
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079085
1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079407
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62080510
N-methyl-1-(oxolan-3-yl)butan-1-amine
CID 63564558
1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434
1-(oxolan-3-yl)-N-propylpent-4-en-1-amine
CID 65329655
N-methyl-1-(oxolan-3-yl)hex-5-en-1-amine
CID 65330081
N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine
CID 65330142

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine?
The IUPAC name of N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine (CID 79186290) is N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine is C=C(C)CC(NC)C1CCOC1.
What is the InChIKey of N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine?
The InChIKey is JOMGEGBIMJQNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)6-10(11-3)9-4-5-12-7-9/h9-11H,1,4-7H2,2-3H3.
What are the key properties of N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine?
N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(oxolan-3-yl)but-3-en-1-amine is sourced from PubChem (CID 79186290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).