N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine

C9H16FN — CID 163433892

IUPACN-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine
SMILESCCN(CC/C=C/F)C1CC1
InChIInChI=1S/C9H16FN/c1-2-11(9-5-6-9)8-4-3-7-10/h3,7,9H,2,4-6,8H2,1H3/b7-3+
InChIKeyASVCYQSAEBZCBP-XVNBXDOJSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds5

About N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine

N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine (PubChem CID 163433892) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine
PubChem CID163433892
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC NameN-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine
SMILESCCN(CC/C=C/F)C1CC1
InChIInChI=1S/C9H16FN/c1-2-11(9-5-6-9)8-4-3-7-10/h3,7,9H,2,4-6,8H2,1H3/b7-3+
InChIKeyASVCYQSAEBZCBP-XVNBXDOJSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine (CID 163433892) is N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine is CCN(CC/C=C/F)C1CC1.
What is the InChIKey of N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine?
The InChIKey is ASVCYQSAEBZCBP-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H16FN/c1-2-11(9-5-6-9)8-4-3-7-10/h3,7,9H,2,4-6,8H2,1H3/b7-3+.
What are the key properties of N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine?
N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine is sourced from PubChem (CID 163433892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).