4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium

C11H25N2OY- — CID 58806019

IUPAC4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium
SMILES[CH2-]N(CCCCO)CCCCCNC.[Y]
InChIInChI=1S/C11H25N2O.Y/c1-12-8-4-3-5-9-13(2)10-6-7-11-14;/h12,14H,2-11H2,1H3;/q-1;
InChIKeyTUPJPMJPAPSQKS-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.24
Rot. Bonds10

About 4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium

4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium (PubChem CID 58806019) has the molecular formula C11H25N2OY- and a molecular weight of 290.24 g/mol. Its IUPAC name is 4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium.

Molecular Properties

Compound Name4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium
PubChem CID58806019
Molecular FormulaC11H25N2OY-
Molecular Weight290.24 g/mol
Exact Mass290.10
IUPAC Name4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium
SMILES[CH2-]N(CCCCO)CCCCCNC.[Y]
InChIInChI=1S/C11H25N2O.Y/c1-12-8-4-3-5-9-13(2)10-6-7-11-14;/h12,14H,2-11H2,1H3;/q-1;
InChIKeyTUPJPMJPAPSQKS-UHFFFAOYSA-N
XLogP1.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol
CID 53441021
hexane-1,6-diol;2-(methylamino)ethanol
CID 18353571
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N-methyloctan-1-amine;propan-1-ol
CID 88540071
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
CID 137019099
CID 137019099
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345

Frequently Asked Questions

What is the IUPAC name of 4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium?
The IUPAC name of 4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium (CID 58806019) is 4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium.
What is the SMILES notation for 4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium?
The canonical SMILES for 4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium is [CH2-]N(CCCCO)CCCCCNC.[Y].
What is the InChIKey of 4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium?
The InChIKey is TUPJPMJPAPSQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2O.Y/c1-12-8-4-3-5-9-13(2)10-6-7-11-14;/h12,14H,2-11H2,1H3;/q-1;.
What are the key properties of 4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium?
4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium has a molecular weight of 290.24 g/mol, XLogP of 1.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methanidyl-[5-(methylamino)pentyl]amino]butan-1-ol;yttrium is sourced from PubChem (CID 58806019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).