1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol

C13H23N3O — CID 66164576

IUPAC1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCC(C)n1cncc1CNCC1(O)CCCC1
InChIInChI=1S/C13H23N3O/c1-11(2)16-10-15-8-12(16)7-14-9-13(17)5-3-4-6-13/h8,10-11,14,17H,3-7,9H2,1-2H3
InChIKeyHUYHBUQTKMCNPV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.86
Rot. Bonds5

About 1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol

1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 66164576) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID66164576
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCC(C)n1cncc1CNCC1(O)CCCC1
InChIInChI=1S/C13H23N3O/c1-11(2)16-10-15-8-12(16)7-14-9-13(17)5-3-4-6-13/h8,10-11,14,17H,3-7,9H2,1-2H3
InChIKeyHUYHBUQTKMCNPV-UHFFFAOYSA-N
XLogP1.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106100251
(3S)-3-[[[3-(2-methylpropyl)imidazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 95883066
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66132309
3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66164185
2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66162182
2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine
CID 66162773
1-(1,1-dioxothiolan-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 81039457
1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol
CID 111436579
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine
CID 66131875

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol (CID 66164576) is 1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol is CC(C)n1cncc1CNCC1(O)CCCC1.
What is the InChIKey of 1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is HUYHBUQTKMCNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)16-10-15-8-12(16)7-14-9-13(17)5-3-4-6-13/h8,10-11,14,17H,3-7,9H2,1-2H3.
What are the key properties of 1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 66164576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).