(E)-N-propylbut-2-en-2-amine

C7H15N — CID 55300811

IUPAC(E)-N-propylbut-2-en-2-amine
SMILESC/C=C(\C)NCCC
InChIInChI=1S/C7H15N/c1-4-6-8-7(3)5-2/h5,8H,4,6H2,1-3H3/b7-5+
InChIKeyRJSMOIBZQHUULF-FNORWQNLSA-N
MW113.20 g/mol
LogP1.91
Rot. Bonds3

About (E)-N-propylbut-2-en-2-amine

(E)-N-propylbut-2-en-2-amine (PubChem CID 55300811) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (E)-N-propylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-propylbut-2-en-2-amine
PubChem CID55300811
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(E)-N-propylbut-2-en-2-amine
SMILESC/C=C(\C)NCCC
InChIInChI=1S/C7H15N/c1-4-6-8-7(3)5-2/h5,8H,4,6H2,1-3H3/b7-5+
InChIKeyRJSMOIBZQHUULF-FNORWQNLSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-propylbut-2-en-2-amine?
The IUPAC name of (E)-N-propylbut-2-en-2-amine (CID 55300811) is (E)-N-propylbut-2-en-2-amine.
What is the SMILES notation for (E)-N-propylbut-2-en-2-amine?
The canonical SMILES for (E)-N-propylbut-2-en-2-amine is C/C=C(\C)NCCC.
What is the InChIKey of (E)-N-propylbut-2-en-2-amine?
The InChIKey is RJSMOIBZQHUULF-FNORWQNLSA-N. The full InChI is InChI=1S/C7H15N/c1-4-6-8-7(3)5-2/h5,8H,4,6H2,1-3H3/b7-5+.
What are the key properties of (E)-N-propylbut-2-en-2-amine?
(E)-N-propylbut-2-en-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propylbut-2-en-2-amine is sourced from PubChem (CID 55300811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).