N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine

C13H22N4 — CID 106583084

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NCC1(N(C)C)CCC1
InChIInChI=1S/C13H22N4/c1-4-9-17-10-8-14-12(17)15-11-13(16(2)3)6-5-7-13/h4,8,10H,1,5-7,9,11H2,2-3H3,(H,14,15)
InChIKeyKZAQENYNJVSBDH-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.97
Rot. Bonds6

About N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine (PubChem CID 106583084) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine
PubChem CID106583084
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NCC1(N(C)C)CCC1
InChIInChI=1S/C13H22N4/c1-4-9-17-10-8-14-12(17)15-11-13(16(2)3)6-5-7-13/h4,8,10H,1,5-7,9,11H2,2-3H3,(H,14,15)
InChIKeyKZAQENYNJVSBDH-UHFFFAOYSA-N
XLogP1.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine (CID 106583084) is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine is C=CCn1ccnc1NCC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine?
The InChIKey is KZAQENYNJVSBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-9-17-10-8-14-12(17)15-11-13(16(2)3)6-5-7-13/h4,8,10H,1,5-7,9,11H2,2-3H3,(H,14,15).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106583084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).