3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine

C14H27NO — CID 66038288

IUPAC3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCOCC1
InChIInChI=1S/C14H27NO/c1-4-8-15-14(11-12(3)5-2)13-6-9-16-10-7-13/h13-15H,3-11H2,1-2H3
InChIKeyNXGZJQNAEUEHTE-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds7

About 3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine

3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine (PubChem CID 66038288) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine
PubChem CID66038288
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCOCC1
InChIInChI=1S/C14H27NO/c1-4-8-15-14(11-12(3)5-2)13-6-9-16-10-7-13/h13-15H,3-11H2,1-2H3
InChIKeyNXGZJQNAEUEHTE-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
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-(oxan-4-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine (CID 66038288) is 3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine is C=C(CC)CC(NCCC)C1CCOCC1.
What is the InChIKey of 3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine?
The InChIKey is NXGZJQNAEUEHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-8-15-14(11-12(3)5-2)13-6-9-16-10-7-13/h13-15H,3-11H2,1-2H3.
What are the key properties of 3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine?
3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(oxan-4-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 66038288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).