2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol

C13H23N3O — CID 114756038

IUPAC2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESCCCn1ccnc1CNCC1(CCO)CC1
InChIInChI=1S/C13H23N3O/c1-2-7-16-8-6-15-12(16)10-14-11-13(3-4-13)5-9-17/h6,8,14,17H,2-5,7,9-11H2,1H3
InChIKeyFBVQUJHQCBWTPN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.55
Rot. Bonds8

About 2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 114756038) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID114756038
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESCCCn1ccnc1CNCC1(CCO)CC1
InChIInChI=1S/C13H23N3O/c1-2-7-16-8-6-15-12(16)10-14-11-13(3-4-13)5-9-17/h6,8,14,17H,2-5,7,9-11H2,1H3
InChIKeyFBVQUJHQCBWTPN-UHFFFAOYSA-N
XLogP1.55
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol (CID 114756038) is 2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol is CCCn1ccnc1CNCC1(CCO)CC1.
What is the InChIKey of 2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is FBVQUJHQCBWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-7-16-8-6-15-12(16)10-14-11-13(3-4-13)5-9-17/h6,8,14,17H,2-5,7,9-11H2,1H3.
What are the key properties of 2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 237.35 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114756038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).