3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol

C11H19N3O — CID 66129997

IUPAC3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
SMILESCCCn1cncc1CNC1CC(O)C1
InChIInChI=1S/C11H19N3O/c1-2-3-14-8-12-6-10(14)7-13-9-4-11(15)5-9/h6,8-9,11,13,15H,2-5,7H2,1H3
InChIKeyDEZDCMSBAOXJKU-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.91
Rot. Bonds5

About 3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol

3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol (PubChem CID 66129997) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
PubChem CID66129997
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
SMILESCCCn1cncc1CNC1CC(O)C1
InChIInChI=1S/C11H19N3O/c1-2-3-14-8-12-6-10(14)7-13-9-4-11(15)5-9/h6,8-9,11,13,15H,2-5,7H2,1H3
InChIKeyDEZDCMSBAOXJKU-UHFFFAOYSA-N
XLogP0.91
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine
CID 66129398
2,2,6,6-tetramethyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134567
[2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol
CID 114178487
N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 66130357
2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine
CID 66129396
2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 66130556
N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine
CID 66135498
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507
N-[(3-propylimidazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 66130589
N-[(3-propylimidazol-4-yl)methyl]piperidin-1-amine
CID 83007579

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol (CID 66129997) is 3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol is CCCn1cncc1CNC1CC(O)C1.
What is the InChIKey of 3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol?
The InChIKey is DEZDCMSBAOXJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-14-8-12-6-10(14)7-13-9-4-11(15)5-9/h6,8-9,11,13,15H,2-5,7H2,1H3.
What are the key properties of 3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol?
3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 66129997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).