(E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine

C10H19NO — CID 175626549

IUPAC(E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine
SMILESC/C=C/N[C@H](C)C1CCOCC1
InChIInChI=1S/C10H19NO/c1-3-6-11-9(2)10-4-7-12-8-5-10/h3,6,9-11H,4-5,7-8H2,1-2H3/b6-3+/t9-/m1/s1
InChIKeySTNYUKGFHGUWDR-BSPAPZMXSA-N
MW169.27 g/mol
LogP1.92
Rot. Bonds3

About (E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine

(E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine (PubChem CID 175626549) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine
PubChem CID175626549
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine
SMILESC/C=C/N[C@H](C)C1CCOCC1
InChIInChI=1S/C10H19NO/c1-3-6-11-9(2)10-4-7-12-8-5-10/h3,6,9-11H,4-5,7-8H2,1-2H3/b6-3+/t9-/m1/s1
InChIKeySTNYUKGFHGUWDR-BSPAPZMXSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine?
The IUPAC name of (E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine (CID 175626549) is (E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine.
What is the SMILES notation for (E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine?
The canonical SMILES for (E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine is C/C=C/N[C@H](C)C1CCOCC1.
What is the InChIKey of (E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine?
The InChIKey is STNYUKGFHGUWDR-BSPAPZMXSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-6-11-9(2)10-4-7-12-8-5-10/h3,6,9-11H,4-5,7-8H2,1-2H3/b6-3+/t9-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine?
(E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(oxan-4-yl)ethyl]prop-1-en-1-amine is sourced from PubChem (CID 175626549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).