(cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol

C14H26N2O2 — CID 70974406

IUPAC(cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol
SMILESOCNC1C=CC(C(O)NC2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c17-10-15-12-8-6-11(7-9-12)14(18)16-13-4-2-1-3-5-13/h6,8,11-18H,1-5,7,9-10H2
InChIKeyPIEUVEWGLOEKQN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.10
Rot. Bonds5

About (cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol

(cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol (PubChem CID 70974406) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name(cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol
PubChem CID70974406
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol
SMILESOCNC1C=CC(C(O)NC2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c17-10-15-12-8-6-11(7-9-12)14(18)16-13-4-2-1-3-5-13/h6,8,11-18H,1-5,7,9-10H2
InChIKeyPIEUVEWGLOEKQN-UHFFFAOYSA-N
XLogP1.10
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol?
The IUPAC name of (cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol (CID 70974406) is (cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol.
What is the SMILES notation for (cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol?
The canonical SMILES for (cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol is OCNC1C=CC(C(O)NC2CCCCC2)CC1.
What is the InChIKey of (cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol?
The InChIKey is PIEUVEWGLOEKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-10-15-12-8-6-11(7-9-12)14(18)16-13-4-2-1-3-5-13/h6,8,11-18H,1-5,7,9-10H2.
What are the key properties of (cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol?
(cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol has a molecular weight of 254.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 70974406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).