[1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol

C14H28N2O2 — CID 13049627

IUPAC[1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol
SMILESOCC1(NCCNC2(CO)CCCC2)CCCC1
InChIInChI=1S/C14H28N2O2/c17-11-13(5-1-2-6-13)15-9-10-16-14(12-18)7-3-4-8-14/h15-18H,1-12H2
InChIKeyXYRFGTNITAMRPF-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.78
Rot. Bonds7

About [1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol

[1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol (PubChem CID 13049627) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol
PubChem CID13049627
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol
SMILESOCC1(NCCNC2(CO)CCCC2)CCCC1
InChIInChI=1S/C14H28N2O2/c17-11-13(5-1-2-6-13)15-9-10-16-14(12-18)7-3-4-8-14/h15-18H,1-12H2
InChIKeyXYRFGTNITAMRPF-UHFFFAOYSA-N
XLogP0.78
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.78
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 [1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol?
The IUPAC name of [1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol (CID 13049627) is [1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol is OCC1(NCCNC2(CO)CCCC2)CCCC1.
What is the InChIKey of [1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol?
The InChIKey is XYRFGTNITAMRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c17-11-13(5-1-2-6-13)15-9-10-16-14(12-18)7-3-4-8-14/h15-18H,1-12H2.
What are the key properties of [1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol?
[1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.78, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethylamino]cyclopentyl]methanol is sourced from PubChem (CID 13049627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).