[2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol

C13H23N3O — CID 114178487

IUPAC[2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol
SMILESCCCn1cncc1CNC1CCCC1CO
InChIInChI=1S/C13H23N3O/c1-2-6-16-10-14-7-12(16)8-15-13-5-3-4-11(13)9-17/h7,10-11,13,15,17H,2-6,8-9H2,1H3
InChIKeyMRDMJWHLPSSUPM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.54
Rot. Bonds6

About [2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol

[2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol (PubChem CID 114178487) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol
PubChem CID114178487
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol
SMILESCCCn1cncc1CNC1CCCC1CO
InChIInChI=1S/C13H23N3O/c1-2-6-16-10-14-7-12(16)8-15-13-5-3-4-11(13)9-17/h7,10-11,13,15,17H,2-6,8-9H2,1H3
InChIKeyMRDMJWHLPSSUPM-UHFFFAOYSA-N
XLogP1.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine
CID 66129396
3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 66129997
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]-3-(trifluoromethyl)cyclohexan-1-amine
CID 66130357
N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine
CID 66129398
[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 115655039
2,2,6,6-tetramethyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134567
2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 66130556
N-[(3-propylimidazol-4-yl)methyl]piperidin-1-amine
CID 83007579
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 103893993

Frequently Asked Questions

What is the IUPAC name of [2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol (CID 114178487) is [2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol is CCCn1cncc1CNC1CCCC1CO.
What is the InChIKey of [2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol?
The InChIKey is MRDMJWHLPSSUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-6-16-10-14-7-12(16)8-15-13-5-3-4-11(13)9-17/h7,10-11,13,15,17H,2-6,8-9H2,1H3.
What are the key properties of [2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol?
[2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 114178487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).