[1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol

C14H26N2O — CID 113359633

IUPAC[1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNC2=NCCCCC2)CCCCC1
InChIInChI=1S/C14H26N2O/c17-12-14(8-4-2-5-9-14)11-16-13-7-3-1-6-10-15-13/h17H,1-12H2,(H,15,16)
InChIKeyWLVXRUPCLCZRAY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.49
Rot. Bonds3

About [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol

[1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol (PubChem CID 113359633) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol
PubChem CID113359633
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNC2=NCCCCC2)CCCCC1
InChIInChI=1S/C14H26N2O/c17-12-14(8-4-2-5-9-14)11-16-13-7-3-1-6-10-15-13/h17H,1-12H2,(H,15,16)
InChIKeyWLVXRUPCLCZRAY-UHFFFAOYSA-N
XLogP2.49
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol (CID 113359633) is [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol is OCC1(CNC2=NCCCCC2)CCCCC1.
What is the InChIKey of [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is WLVXRUPCLCZRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c17-12-14(8-4-2-5-9-14)11-16-13-7-3-1-6-10-15-13/h17H,1-12H2,(H,15,16).
What are the key properties of [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol?
[1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 238.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 113359633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).