[1-(hydroxymethyl)cyclopentyl]azanium

C6H14NO+ — CID 6931139

IUPAC[1-(hydroxymethyl)cyclopentyl]azanium
SMILES[NH3+]C1(CO)CCCC1
InChIInChI=1S/C6H13NO/c7-6(5-8)3-1-2-4-6/h8H,1-5,7H2/p+1
InChIKeyPDNZJLMPXLQDPL-UHFFFAOYSA-O
MW116.18 g/mol
LogP-0.47
Rot. Bonds1

About [1-(hydroxymethyl)cyclopentyl]azanium

[1-(hydroxymethyl)cyclopentyl]azanium (PubChem CID 6931139) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclopentyl]azanium.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclopentyl]azanium
PubChem CID6931139
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name[1-(hydroxymethyl)cyclopentyl]azanium
SMILES[NH3+]C1(CO)CCCC1
InChIInChI=1S/C6H13NO/c7-6(5-8)3-1-2-4-6/h8H,1-5,7H2/p+1
InChIKeyPDNZJLMPXLQDPL-UHFFFAOYSA-O
XLogP-0.47
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclopentyl]azanium?
The IUPAC name of [1-(hydroxymethyl)cyclopentyl]azanium (CID 6931139) is [1-(hydroxymethyl)cyclopentyl]azanium.
What is the SMILES notation for [1-(hydroxymethyl)cyclopentyl]azanium?
The canonical SMILES for [1-(hydroxymethyl)cyclopentyl]azanium is [NH3+]C1(CO)CCCC1.
What is the InChIKey of [1-(hydroxymethyl)cyclopentyl]azanium?
The InChIKey is PDNZJLMPXLQDPL-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13NO/c7-6(5-8)3-1-2-4-6/h8H,1-5,7H2/p+1.
What are the key properties of [1-(hydroxymethyl)cyclopentyl]azanium?
[1-(hydroxymethyl)cyclopentyl]azanium has a molecular weight of 116.18 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclopentyl]azanium is sourced from PubChem (CID 6931139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).