1-[(2-adamantylamino)methyl]cycloheptan-1-ol

C18H31NO — CID 60711023

IUPAC1-[(2-adamantylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2C3CC4CC(C3)CC2C4)CCCCCC1
InChIInChI=1S/C18H31NO/c20-18(5-3-1-2-4-6-18)12-19-17-15-8-13-7-14(10-15)11-16(17)9-13/h13-17,19-20H,1-12H2
InChIKeyXUTPMWORZIAVEC-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.49
Rot. Bonds3

About 1-[(2-adamantylamino)methyl]cycloheptan-1-ol

1-[(2-adamantylamino)methyl]cycloheptan-1-ol (PubChem CID 60711023) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-[(2-adamantylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-adamantylamino)methyl]cycloheptan-1-ol
PubChem CID60711023
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-[(2-adamantylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2C3CC4CC(C3)CC2C4)CCCCCC1
InChIInChI=1S/C18H31NO/c20-18(5-3-1-2-4-6-18)12-19-17-15-8-13-7-14(10-15)11-16(17)9-13/h13-17,19-20H,1-12H2
InChIKeyXUTPMWORZIAVEC-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-adamantylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(2-adamantylamino)methyl]cycloheptan-1-ol (CID 60711023) is 1-[(2-adamantylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2-adamantylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2-adamantylamino)methyl]cycloheptan-1-ol is OC1(CNC2C3CC4CC(C3)CC2C4)CCCCCC1.
What is the InChIKey of 1-[(2-adamantylamino)methyl]cycloheptan-1-ol?
The InChIKey is XUTPMWORZIAVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c20-18(5-3-1-2-4-6-18)12-19-17-15-8-13-7-14(10-15)11-16(17)9-13/h13-17,19-20H,1-12H2.
What are the key properties of 1-[(2-adamantylamino)methyl]cycloheptan-1-ol?
1-[(2-adamantylamino)methyl]cycloheptan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-adamantylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 60711023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).