3-methylidene-1-(oxolan-3-yl)pentan-1-amine

C10H19NO — CID 66037812

IUPAC3-methylidene-1-(oxolan-3-yl)pentan-1-amine
SMILESC=C(CC)CC(N)C1CCOC1
InChIInChI=1S/C10H19NO/c1-3-8(2)6-10(11)9-4-5-12-7-9/h9-10H,2-7,11H2,1H3
InChIKeyXXNFGXQZWVVQHP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds4

About 3-methylidene-1-(oxolan-3-yl)pentan-1-amine

3-methylidene-1-(oxolan-3-yl)pentan-1-amine (PubChem CID 66037812) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methylidene-1-(oxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name3-methylidene-1-(oxolan-3-yl)pentan-1-amine
PubChem CID66037812
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methylidene-1-(oxolan-3-yl)pentan-1-amine
SMILESC=C(CC)CC(N)C1CCOC1
InChIInChI=1S/C10H19NO/c1-3-8(2)6-10(11)9-4-5-12-7-9/h9-10H,2-7,11H2,1H3
InChIKeyXXNFGXQZWVVQHP-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 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 ≤ 51.71
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 3-methylidene-1-(oxolan-3-yl)pentan-1-amine?
The IUPAC name of 3-methylidene-1-(oxolan-3-yl)pentan-1-amine (CID 66037812) is 3-methylidene-1-(oxolan-3-yl)pentan-1-amine.
What is the SMILES notation for 3-methylidene-1-(oxolan-3-yl)pentan-1-amine?
The canonical SMILES for 3-methylidene-1-(oxolan-3-yl)pentan-1-amine is C=C(CC)CC(N)C1CCOC1.
What is the InChIKey of 3-methylidene-1-(oxolan-3-yl)pentan-1-amine?
The InChIKey is XXNFGXQZWVVQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-8(2)6-10(11)9-4-5-12-7-9/h9-10H,2-7,11H2,1H3.
What are the key properties of 3-methylidene-1-(oxolan-3-yl)pentan-1-amine?
3-methylidene-1-(oxolan-3-yl)pentan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(oxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 66037812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).