N-ethyl-N-propylbut-1-en-2-amine

C9H19N — CID 123158524

IUPACN-ethyl-N-propylbut-1-en-2-amine
SMILESC=C(CC)N(CC)CCC
InChIInChI=1S/C9H19N/c1-5-8-10(7-3)9(4)6-2/h4-8H2,1-3H3
InChIKeyBIJZDZPOPOKSRN-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.64
Rot. Bonds5

About N-ethyl-N-propylbut-1-en-2-amine

N-ethyl-N-propylbut-1-en-2-amine (PubChem CID 123158524) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-ethyl-N-propylbut-1-en-2-amine.

Molecular Properties

Compound NameN-ethyl-N-propylbut-1-en-2-amine
PubChem CID123158524
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-ethyl-N-propylbut-1-en-2-amine
SMILESC=C(CC)N(CC)CCC
InChIInChI=1S/C9H19N/c1-5-8-10(7-3)9(4)6-2/h4-8H2,1-3H3
InChIKeyBIJZDZPOPOKSRN-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propylbut-1-en-2-amine?
The IUPAC name of N-ethyl-N-propylbut-1-en-2-amine (CID 123158524) is N-ethyl-N-propylbut-1-en-2-amine.
What is the SMILES notation for N-ethyl-N-propylbut-1-en-2-amine?
The canonical SMILES for N-ethyl-N-propylbut-1-en-2-amine is C=C(CC)N(CC)CCC.
What is the InChIKey of N-ethyl-N-propylbut-1-en-2-amine?
The InChIKey is BIJZDZPOPOKSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-8-10(7-3)9(4)6-2/h4-8H2,1-3H3.
What are the key properties of N-ethyl-N-propylbut-1-en-2-amine?
N-ethyl-N-propylbut-1-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylbut-1-en-2-amine is sourced from PubChem (CID 123158524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).