1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol

C9H22N2O2 — CID 87634485

IUPAC1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(CCCCCN)C(C)O
InChIInChI=1S/C9H22N2O2/c1-8(12)11(9(2)13)7-5-3-4-6-10/h8-9,12-13H,3-7,10H2,1-2H3
InChIKeyMEZJJXLWMBKCCJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.09
Rot. Bonds7

About 1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol

1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol (PubChem CID 87634485) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol
PubChem CID87634485
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(CCCCCN)C(C)O
InChIInChI=1S/C9H22N2O2/c1-8(12)11(9(2)13)7-5-3-4-6-10/h8-9,12-13H,3-7,10H2,1-2H3
InChIKeyMEZJJXLWMBKCCJ-UHFFFAOYSA-N
XLogP0.09
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol
CID 54281081
1-[4-aminobutyl(1-hydroxyethyl)amino]ethanol
CID 57194430
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
N',N'-bis(1-aminoethyl)butane-1,4-diamine
CID 87162655
3-[bis(1-hydroxyethyl)amino]propan-1-ol
CID 57254428
1-[1-hydroxyethyl(octyl)amino]ethanol;phosphoric acid
CID 88660637
dodecan-1-amine;bis(propan-2-ol)
CID 19742183
N',N'-bis(1-aminopropyl)butane-1,4-diamine
CID 87162355
N',N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 3723368
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
CID 19091199
N',N'-dimethylicosane-1,20-diamine
CID 54351766

Frequently Asked Questions

What is the IUPAC name of 1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol (CID 87634485) is 1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol is CC(O)N(CCCCCN)C(C)O.
What is the InChIKey of 1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol?
The InChIKey is MEZJJXLWMBKCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-8(12)11(9(2)13)7-5-3-4-6-10/h8-9,12-13H,3-7,10H2,1-2H3.
What are the key properties of 1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol?
1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol has a molecular weight of 190.29 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 87634485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).