[2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol

C18H36N2O2 — CID 6480879

IUPAC[2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCCCCNCC1CCCC1CO
InChIInChI=1S/C18H36N2O2/c21-13-17-7-3-5-15(17)11-19-9-1-2-10-20-12-16-6-4-8-18(16)14-22/h15-22H,1-14H2
InChIKeyOATKRTSXUQGXFR-UHFFFAOYSA-N
MW312.50 g/mol
LogP1.76
Rot. Bonds11

About [2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol

[2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol (PubChem CID 6480879) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is [2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol
PubChem CID6480879
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name[2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCCCCNCC1CCCC1CO
InChIInChI=1S/C18H36N2O2/c21-13-17-7-3-5-15(17)11-19-9-1-2-10-20-12-16-6-4-8-18(16)14-22/h15-22H,1-14H2
InChIKeyOATKRTSXUQGXFR-UHFFFAOYSA-N
XLogP1.76
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol (CID 6480879) is [2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol is OCC1CCCC1CNCCCCNCC1CCCC1CO.
What is the InChIKey of [2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol?
The InChIKey is OATKRTSXUQGXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c21-13-17-7-3-5-15(17)11-19-9-1-2-10-20-12-16-6-4-8-18(16)14-22/h15-22H,1-14H2.
What are the key properties of [2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol?
[2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol has a molecular weight of 312.50 g/mol, XLogP of 1.76, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[[2-(hydroxymethyl)cyclopentyl]methylamino]butylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 6480879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).