1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine

C12H22N2 — CID 79854420

IUPAC1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine
SMILESC=CCN(CC=C)CCC1(N)CCC1
InChIInChI=1S/C12H22N2/c1-3-9-14(10-4-2)11-8-12(13)6-5-7-12/h3-4H,1-2,5-11,13H2
InChIKeyIFWHKWXOVGIQJF-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.93
Rot. Bonds7

About 1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine

1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine (PubChem CID 79854420) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine
PubChem CID79854420
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine
SMILESC=CCN(CC=C)CCC1(N)CCC1
InChIInChI=1S/C12H22N2/c1-3-9-14(10-4-2)11-8-12(13)6-5-7-12/h3-4H,1-2,5-11,13H2
InChIKeyIFWHKWXOVGIQJF-UHFFFAOYSA-N
XLogP1.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine (CID 79854420) is 1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine is C=CCN(CC=C)CCC1(N)CCC1.
What is the InChIKey of 1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine?
The InChIKey is IFWHKWXOVGIQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-9-14(10-4-2)11-8-12(13)6-5-7-12/h3-4H,1-2,5-11,13H2.
What are the key properties of 1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine?
1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(prop-2-enyl)amino]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79854420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).