amino-[3-(hydroxymethyl)cyclohexyl]methanol

C8H17NO2 — CID 170005626

IUPACamino-[3-(hydroxymethyl)cyclohexyl]methanol
SMILESNC(O)C1CCCC(CO)C1
InChIInChI=1S/C8H17NO2/c9-8(11)7-3-1-2-6(4-7)5-10/h6-8,10-11H,1-5,9H2
InChIKeyLXIFAEXXDIKESS-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.06
Rot. Bonds2

About amino-[3-(hydroxymethyl)cyclohexyl]methanol

amino-[3-(hydroxymethyl)cyclohexyl]methanol (PubChem CID 170005626) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is amino-[3-(hydroxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Nameamino-[3-(hydroxymethyl)cyclohexyl]methanol
PubChem CID170005626
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameamino-[3-(hydroxymethyl)cyclohexyl]methanol
SMILESNC(O)C1CCCC(CO)C1
InChIInChI=1S/C8H17NO2/c9-8(11)7-3-1-2-6(4-7)5-10/h6-8,10-11H,1-5,9H2
InChIKeyLXIFAEXXDIKESS-UHFFFAOYSA-N
XLogP0.06
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-[3-(hydroxymethyl)cyclohexyl]methanol?
The IUPAC name of amino-[3-(hydroxymethyl)cyclohexyl]methanol (CID 170005626) is amino-[3-(hydroxymethyl)cyclohexyl]methanol.
What is the SMILES notation for amino-[3-(hydroxymethyl)cyclohexyl]methanol?
The canonical SMILES for amino-[3-(hydroxymethyl)cyclohexyl]methanol is NC(O)C1CCCC(CO)C1.
What is the InChIKey of amino-[3-(hydroxymethyl)cyclohexyl]methanol?
The InChIKey is LXIFAEXXDIKESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c9-8(11)7-3-1-2-6(4-7)5-10/h6-8,10-11H,1-5,9H2.
What are the key properties of amino-[3-(hydroxymethyl)cyclohexyl]methanol?
amino-[3-(hydroxymethyl)cyclohexyl]methanol has a molecular weight of 159.23 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[3-(hydroxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 170005626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).