1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol

C15H29NO2 — CID 55082225

IUPAC1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol
SMILESOCC1(NCC2(O)CCCCCC2)CCCCC1
InChIInChI=1S/C15H29NO2/c17-13-14(8-4-3-5-9-14)16-12-15(18)10-6-1-2-7-11-15/h16-18H,1-13H2
InChIKeyLSPBWDIURPPVKU-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.36
Rot. Bonds4

About 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol

1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol (PubChem CID 55082225) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol
PubChem CID55082225
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol
SMILESOCC1(NCC2(O)CCCCCC2)CCCCC1
InChIInChI=1S/C15H29NO2/c17-13-14(8-4-3-5-9-14)16-12-15(18)10-6-1-2-7-11-15/h16-18H,1-13H2
InChIKeyLSPBWDIURPPVKU-UHFFFAOYSA-N
XLogP2.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol (CID 55082225) is 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol is OCC1(NCC2(O)CCCCCC2)CCCCC1.
What is the InChIKey of 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol?
The InChIKey is LSPBWDIURPPVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c17-13-14(8-4-3-5-9-14)16-12-15(18)10-6-1-2-7-11-15/h16-18H,1-13H2.
What are the key properties of 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol?
1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 55082225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).