1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol

C17H35NO3 — CID 65122363

IUPAC1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
SMILESCC(C)CCCOCC(O)CNCC1(O)CCCCCC1
InChIInChI=1S/C17H35NO3/c1-15(2)8-7-11-21-13-16(19)12-18-14-17(20)9-5-3-4-6-10-17/h15-16,18-20H,3-14H2,1-2H3
InChIKeyHBVZTWFDTUQKAX-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.47
Rot. Bonds10

About 1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol

1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol (PubChem CID 65122363) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
PubChem CID65122363
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
SMILESCC(C)CCCOCC(O)CNCC1(O)CCCCCC1
InChIInChI=1S/C17H35NO3/c1-15(2)8-7-11-21-13-16(19)12-18-14-17(20)9-5-3-4-6-10-17/h15-16,18-20H,3-14H2,1-2H3
InChIKeyHBVZTWFDTUQKAX-UHFFFAOYSA-N
XLogP2.47
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
CID 65123306
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
CID 65122217
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
CID 65109325
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol
CID 113478776
1-(4-methylpentoxy)-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80585436
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
1-(4-methylpentoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669637
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 60702220

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol (CID 65122363) is 1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol is CC(C)CCCOCC(O)CNCC1(O)CCCCCC1.
What is the InChIKey of 1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol?
The InChIKey is HBVZTWFDTUQKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-15(2)8-7-11-21-13-16(19)12-18-14-17(20)9-5-3-4-6-10-17/h15-16,18-20H,3-14H2,1-2H3.
What are the key properties of 1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol?
1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol has a molecular weight of 301.47 g/mol, XLogP of 2.47, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65122363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).