1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol

C12H25NO2 — CID 65080146

IUPAC1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol
SMILESCOCC(O)CNC1CCCC(C)CC1
InChIInChI=1S/C12H25NO2/c1-10-4-3-5-11(7-6-10)13-8-12(14)9-15-2/h10-14H,3-9H2,1-2H3
InChIKeyWBTLBHBKSDKEQV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds5

About 1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol

1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol (PubChem CID 65080146) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol
PubChem CID65080146
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol
SMILESCOCC(O)CNC1CCCC(C)CC1
InChIInChI=1S/C12H25NO2/c1-10-4-3-5-11(7-6-10)13-8-12(14)9-15-2/h10-14H,3-9H2,1-2H3
InChIKeyWBTLBHBKSDKEQV-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
1-methoxy-3-[(3-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 107448542
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol
CID 65079742
N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine
CID 79547423
1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545713
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-(cyclobutylamino)butan-2-ol
CID 62416322

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol (CID 65080146) is 1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol is COCC(O)CNC1CCCC(C)CC1.
What is the InChIKey of 1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol?
The InChIKey is WBTLBHBKSDKEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10-4-3-5-11(7-6-10)13-8-12(14)9-15-2/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol?
1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol is sourced from PubChem (CID 65080146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).