3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol

C11H23NO3 — CID 106121090

IUPAC3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCOC(OC)C(C)NCC1CCC(O)C1
InChIInChI=1S/C11H23NO3/c1-8(11(14-2)15-3)12-7-9-4-5-10(13)6-9/h8-13H,4-7H2,1-3H3
InChIKeyBCCVHMBPFHOAOE-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.74
Rot. Bonds6

About 3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol

3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 106121090) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID106121090
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCOC(OC)C(C)NCC1CCC(O)C1
InChIInChI=1S/C11H23NO3/c1-8(11(14-2)15-3)12-7-9-4-5-10(13)6-9/h8-13H,4-7H2,1-3H3
InChIKeyBCCVHMBPFHOAOE-UHFFFAOYSA-N
XLogP0.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]cyclopentan-1-ol
CID 103271409
1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79707407
3-[(1-cyclopropylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271439
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
3-[(pentan-3-ylamino)methyl]cyclopentan-1-ol
CID 103271506
3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol
CID 106129449
3-[(pentan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271338
3-[(1-ethoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271450
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypentanamide
CID 103280773
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
methyl N-[(3-hydroxycyclopentyl)methyl]carbamate
CID 103279767

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol (CID 106121090) is 3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol is COC(OC)C(C)NCC1CCC(O)C1.
What is the InChIKey of 3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is BCCVHMBPFHOAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(11(14-2)15-3)12-7-9-4-5-10(13)6-9/h8-13H,4-7H2,1-3H3.
What are the key properties of 3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol?
3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106121090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).