6-(2-hydroxyethylamino)hexylcarbamic acid

C9H20N2O3 — CID 18423740

IUPAC6-(2-hydroxyethylamino)hexylcarbamic acid
SMILESO=C(O)NCCCCCCNCCO
InChIInChI=1S/C9H20N2O3/c12-8-7-10-5-3-1-2-4-6-11-9(13)14/h10-12H,1-8H2,(H,13,14)
InChIKeyYBBVAKYNBBUJOC-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.40
Rot. Bonds9

About 6-(2-hydroxyethylamino)hexylcarbamic acid

6-(2-hydroxyethylamino)hexylcarbamic acid (PubChem CID 18423740) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)hexylcarbamic acid.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)hexylcarbamic acid
PubChem CID18423740
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name6-(2-hydroxyethylamino)hexylcarbamic acid
SMILESO=C(O)NCCCCCCNCCO
InChIInChI=1S/C9H20N2O3/c12-8-7-10-5-3-1-2-4-6-11-9(13)14/h10-12H,1-8H2,(H,13,14)
InChIKeyYBBVAKYNBBUJOC-UHFFFAOYSA-N
XLogP0.40
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 162306513
CID 162306513
4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid
CID 141446490
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid
CID 18696256
N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 58105463
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
CID 6455032
6-[3,5-bis[6-(carboxyamino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamic acid
CID 66832214
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol
CID 158071262
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
5-(2-hydroxyethylamino)pentane-1-sulfonic acid
CID 20545792
acetic acid;bis(2-(butylamino)ethanol)
CID 172848833

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)hexylcarbamic acid?
The IUPAC name of 6-(2-hydroxyethylamino)hexylcarbamic acid (CID 18423740) is 6-(2-hydroxyethylamino)hexylcarbamic acid.
What is the SMILES notation for 6-(2-hydroxyethylamino)hexylcarbamic acid?
The canonical SMILES for 6-(2-hydroxyethylamino)hexylcarbamic acid is O=C(O)NCCCCCCNCCO.
What is the InChIKey of 6-(2-hydroxyethylamino)hexylcarbamic acid?
The InChIKey is YBBVAKYNBBUJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c12-8-7-10-5-3-1-2-4-6-11-9(13)14/h10-12H,1-8H2,(H,13,14).
What are the key properties of 6-(2-hydroxyethylamino)hexylcarbamic acid?
6-(2-hydroxyethylamino)hexylcarbamic acid has a molecular weight of 204.27 g/mol, XLogP of 0.40, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)hexylcarbamic acid is sourced from PubChem (CID 18423740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).