N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine

C10H19NO — CID 65330303

IUPACN-methyl-1-(oxolan-3-yl)pent-4-en-1-amine
SMILESC=CCCC(NC)C1CCOC1
InChIInChI=1S/C10H19NO/c1-3-4-5-10(11-2)9-6-7-12-8-9/h3,9-11H,1,4-8H2,2H3
InChIKeyUBRSTBKULSHHOP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds5

About N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine

N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine (PubChem CID 65330303) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)pent-4-en-1-amine
PubChem CID65330303
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-methyl-1-(oxolan-3-yl)pent-4-en-1-amine
SMILESC=CCCC(NC)C1CCOC1
InChIInChI=1S/C10H19NO/c1-3-4-5-10(11-2)9-6-7-12-8-9/h3,9-11H,1,4-8H2,2H3
InChIKeyUBRSTBKULSHHOP-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine (CID 65330303) is N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine is C=CCCC(NC)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine?
The InChIKey is UBRSTBKULSHHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-10(11-2)9-6-7-12-8-9/h3,9-11H,1,4-8H2,2H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine?
N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine is sourced from PubChem (CID 65330303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).