1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol

C15H31NO3 — CID 107152057

IUPAC1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCC(O)COC1CCCC1
InChIInChI=1S/C15H31NO3/c1-15(2,3)8-12(17)9-16-10-13(18)11-19-14-6-4-5-7-14/h12-14,16-18H,4-11H2,1-3H3
InChIKeyVVFSVRWMFUDBQP-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.69
Rot. Bonds8

About 1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol

1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107152057) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107152057
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCC(O)COC1CCCC1
InChIInChI=1S/C15H31NO3/c1-15(2,3)8-12(17)9-16-10-13(18)11-19-14-6-4-5-7-14/h12-14,16-18H,4-11H2,1-3H3
InChIKeyVVFSVRWMFUDBQP-UHFFFAOYSA-N
XLogP1.69
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
CID 102697876
1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol
CID 106292600
2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106255989
1-cyclopentyloxy-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941871
1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632425
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111381
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966706
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol (CID 107152057) is 1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNCC(O)COC1CCCC1.
What is the InChIKey of 1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is VVFSVRWMFUDBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-15(2,3)8-12(17)9-16-10-13(18)11-19-14-6-4-5-7-14/h12-14,16-18H,4-11H2,1-3H3.
What are the key properties of 1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol?
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107152057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).