[1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine

C11H20N4 — CID 165488496

IUPAC[1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine
SMILESCC(C)n1ccnc1CN1CCC1CN
InChIInChI=1S/C11H20N4/c1-9(2)15-6-4-13-11(15)8-14-5-3-10(14)7-12/h4,6,9-10H,3,5,7-8,12H2,1-2H3
InChIKeyBWYMHJGHEPKDJN-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.00
Rot. Bonds4

About [1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine

[1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine (PubChem CID 165488496) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is [1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine
PubChem CID165488496
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name[1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine
SMILESCC(C)n1ccnc1CN1CCC1CN
InChIInChI=1S/C11H20N4/c1-9(2)15-6-4-13-11(15)8-14-5-3-10(14)7-12/h4,6,9-10H,3,5,7-8,12H2,1-2H3
InChIKeyBWYMHJGHEPKDJN-UHFFFAOYSA-N
XLogP1.00
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine?
The IUPAC name of [1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine (CID 165488496) is [1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine.
What is the SMILES notation for [1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine?
The canonical SMILES for [1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine is CC(C)n1ccnc1CN1CCC1CN.
What is the InChIKey of [1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine?
The InChIKey is BWYMHJGHEPKDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)15-6-4-13-11(15)8-14-5-3-10(14)7-12/h4,6,9-10H,3,5,7-8,12H2,1-2H3.
What are the key properties of [1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine?
[1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine is sourced from PubChem (CID 165488496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).