2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol

C17H25NO3 — CID 61055167

IUPAC2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
SMILESCC(CO)(NC1CCCC1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C17H25NO3/c1-17(12-19,18-14-5-2-3-6-14)13-7-8-15-16(11-13)21-10-4-9-20-15/h7-8,11,14,18-19H,2-6,9-10,12H2,1H3
InChIKeyUDAMMGVQLYAIOP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.59
Rot. Bonds4

About 2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol

2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol (PubChem CID 61055167) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
PubChem CID61055167
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
SMILESCC(CO)(NC1CCCC1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C17H25NO3/c1-17(12-19,18-14-5-2-3-6-14)13-7-8-15-16(11-13)21-10-4-9-20-15/h7-8,11,14,18-19H,2-6,9-10,12H2,1H3
InChIKeyUDAMMGVQLYAIOP-UHFFFAOYSA-N
XLogP2.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 60998760
2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61047114
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 61046929
N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794924
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61056358
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-hydroxybutanoic acid
CID 62395413
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methanol
CID 115229600
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol
CID 115480492
2-(1,3-benzodioxol-5-yl)-2-(4-chloroanilino)propan-1-ol
CID 61048114

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol?
The IUPAC name of 2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol (CID 61055167) is 2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol.
What is the SMILES notation for 2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol?
The canonical SMILES for 2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol is CC(CO)(NC1CCCC1)c1ccc2c(c1)OCCCO2.
What is the InChIKey of 2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol?
The InChIKey is UDAMMGVQLYAIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(12-19,18-14-5-2-3-6-14)13-7-8-15-16(11-13)21-10-4-9-20-15/h7-8,11,14,18-19H,2-6,9-10,12H2,1H3.
What are the key properties of 2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol?
2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol is sourced from PubChem (CID 61055167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).