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

C11H20N2 — CID 81168644

IUPAC1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine
SMILESC=CCN(CC=C)CC1(N)CCC1
InChIInChI=1S/C11H20N2/c1-3-8-13(9-4-2)10-11(12)6-5-7-11/h3-4H,1-2,5-10,12H2
InChIKeyKORGFTQOMJANOP-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.54
Rot. Bonds6

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

1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine (PubChem CID 81168644) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine
PubChem CID81168644
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine
SMILESC=CCN(CC=C)CC1(N)CCC1
InChIInChI=1S/C11H20N2/c1-3-8-13(9-4-2)10-11(12)6-5-7-11/h3-4H,1-2,5-10,12H2
InChIKeyKORGFTQOMJANOP-UHFFFAOYSA-N
XLogP1.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.54
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-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine (CID 81168644) is 1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine is C=CCN(CC=C)CC1(N)CCC1.
What is the InChIKey of 1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine?
The InChIKey is KORGFTQOMJANOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-8-13(9-4-2)10-11(12)6-5-7-11/h3-4H,1-2,5-10,12H2.
What are the key properties of 1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine?
1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(prop-2-enyl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 81168644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).