[1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol

C9H15N3O — CID 79479827

IUPAC[1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2cnc[nH]2)CC1
InChIInChI=1S/C9H15N3O/c13-6-9(1-2-9)5-10-3-8-4-11-7-12-8/h4,7,10,13H,1-3,5-6H2,(H,11,12)
InChIKeySHIHFYMLCQSWNP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.27
Rot. Bonds5

About [1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol

[1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol (PubChem CID 79479827) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol
PubChem CID79479827
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2cnc[nH]2)CC1
InChIInChI=1S/C9H15N3O/c13-6-9(1-2-9)5-10-3-8-4-11-7-12-8/h4,7,10,13H,1-3,5-6H2,(H,11,12)
InChIKeySHIHFYMLCQSWNP-UHFFFAOYSA-N
XLogP0.27
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol (CID 79479827) is [1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol is OCC1(CNCc2cnc[nH]2)CC1.
What is the InChIKey of [1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol?
The InChIKey is SHIHFYMLCQSWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c13-6-9(1-2-9)5-10-3-8-4-11-7-12-8/h4,7,10,13H,1-3,5-6H2,(H,11,12).
What are the key properties of [1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol?
[1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol has a molecular weight of 181.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1H-imidazol-5-ylmethylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 79479827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).