[2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol

C20H40N2O2 — CID 6480880

IUPAC[2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCCCCCCNCC1CCCC1CO
InChIInChI=1S/C20H40N2O2/c23-15-19-9-5-7-17(19)13-21-11-3-1-2-4-12-22-14-18-8-6-10-20(18)16-24/h17-24H,1-16H2
InChIKeyYGWXTYZKBRTJKY-UHFFFAOYSA-N
MW340.55 g/mol
LogP2.54
Rot. Bonds13

About [2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol

[2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol (PubChem CID 6480880) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is [2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol
PubChem CID6480880
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC Name[2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCCCCCCNCC1CCCC1CO
InChIInChI=1S/C20H40N2O2/c23-15-19-9-5-7-17(19)13-21-11-3-1-2-4-12-22-14-18-8-6-10-20(18)16-24/h17-24H,1-16H2
InChIKeyYGWXTYZKBRTJKY-UHFFFAOYSA-N
XLogP2.54
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 52.54
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-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol (CID 6480880) is [2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol is OCC1CCCC1CNCCCCCCNCC1CCCC1CO.
What is the InChIKey of [2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol?
The InChIKey is YGWXTYZKBRTJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c23-15-19-9-5-7-17(19)13-21-11-3-1-2-4-12-22-14-18-8-6-10-20(18)16-24/h17-24H,1-16H2.
What are the key properties of [2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol?
[2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol has a molecular weight of 340.55 g/mol, XLogP of 2.54, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-[[2-(hydroxymethyl)cyclopentyl]methylamino]hexylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 6480880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).