1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol

C14H29NO3 — CID 65122217

IUPAC1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
SMILESCC(C)OCC(O)CNCC1(O)CCCCCC1
InChIInChI=1S/C14H29NO3/c1-12(2)18-10-13(16)9-15-11-14(17)7-5-3-4-6-8-14/h12-13,15-17H,3-11H2,1-2H3
InChIKeyCWLYDZLGGPCLED-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.45
Rot. Bonds7

About 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol

1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol (PubChem CID 65122217) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
PubChem CID65122217
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
SMILESCC(C)OCC(O)CNCC1(O)CCCCCC1
InChIInChI=1S/C14H29NO3/c1-12(2)18-10-13(16)9-15-11-14(17)7-5-3-4-6-8-14/h12-13,15-17H,3-11H2,1-2H3
InChIKeyCWLYDZLGGPCLED-UHFFFAOYSA-N
XLogP1.45
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
CID 65109325
1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
CID 65123306
1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65122363
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933
ethyl 3-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 103253206
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
CID 60649306
3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
CID 65122525
1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990396

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol (CID 65122217) is 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol is CC(C)OCC(O)CNCC1(O)CCCCCC1.
What is the InChIKey of 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is CWLYDZLGGPCLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-12(2)18-10-13(16)9-15-11-14(17)7-5-3-4-6-8-14/h12-13,15-17H,3-11H2,1-2H3.
What are the key properties of 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol?
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65122217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).