1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol

C16H31NO — CID 55069457

IUPAC1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H31NO/c1-14(15-9-5-4-6-10-15)17-13-16(18)11-7-2-3-8-12-16/h14-15,17-18H,2-13H2,1H3
InChIKeyVAGNFBHEMQVTQL-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.63
Rot. Bonds4

About 1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol

1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol (PubChem CID 55069457) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol
PubChem CID55069457
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H31NO/c1-14(15-9-5-4-6-10-15)17-13-16(18)11-7-2-3-8-12-16/h14-15,17-18H,2-13H2,1H3
InChIKeyVAGNFBHEMQVTQL-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol (CID 55069457) is 1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol is CC(NCC1(O)CCCCCC1)C1CCCCC1.
What is the InChIKey of 1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol?
The InChIKey is VAGNFBHEMQVTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14(15-9-5-4-6-10-15)17-13-16(18)11-7-2-3-8-12-16/h14-15,17-18H,2-13H2,1H3.
What are the key properties of 1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol?
1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylethylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 55069457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).