N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine

C11H20N2 — CID 166970128

IUPACN-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine
SMILESC=C(C)NC(=C)C1CC(NCC)C1
InChIInChI=1S/C11H20N2/c1-5-12-11-6-10(7-11)9(4)13-8(2)3/h10-13H,2,4-7H2,1,3H3
InChIKeyHIMYRTNHUJKNJR-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.01
Rot. Bonds5

About N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine

N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine (PubChem CID 166970128) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine
PubChem CID166970128
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine
SMILESC=C(C)NC(=C)C1CC(NCC)C1
InChIInChI=1S/C11H20N2/c1-5-12-11-6-10(7-11)9(4)13-8(2)3/h10-13H,2,4-7H2,1,3H3
InChIKeyHIMYRTNHUJKNJR-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine?
The IUPAC name of N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine (CID 166970128) is N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine is C=C(C)NC(=C)C1CC(NCC)C1.
What is the InChIKey of N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine?
The InChIKey is HIMYRTNHUJKNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-12-11-6-10(7-11)9(4)13-8(2)3/h10-13H,2,4-7H2,1,3H3.
What are the key properties of N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine?
N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(prop-1-en-2-ylamino)ethenyl]cyclobutan-1-amine is sourced from PubChem (CID 166970128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).