N-propylbutan-2-amine;yttrium

C7H15NY-2 — CID 59885573

IUPACN-propylbutan-2-amine;yttrium
SMILES[CH2-]C(CC)NC[CH-]C.[Y]
InChIInChI=1S/C7H15N.Y/c1-4-6-8-7(3)5-2;/h4,7-8H,3,5-6H2,1-2H3;/q-2;
InChIKeyYSYDBEQPCYGLOJ-UHFFFAOYSA-N
MW202.11 g/mol
LogP1.41
Rot. Bonds4

About N-propylbutan-2-amine;yttrium

N-propylbutan-2-amine;yttrium (PubChem CID 59885573) has the molecular formula C7H15NY-2 and a molecular weight of 202.11 g/mol. Its IUPAC name is N-propylbutan-2-amine;yttrium.

Molecular Properties

Compound NameN-propylbutan-2-amine;yttrium
PubChem CID59885573
Molecular FormulaC7H15NY-2
Molecular Weight202.11 g/mol
Exact Mass202.03
IUPAC NameN-propylbutan-2-amine;yttrium
SMILES[CH2-]C(CC)NC[CH-]C.[Y]
InChIInChI=1S/C7H15N.Y/c1-4-6-8-7(3)5-2;/h4,7-8H,3,5-6H2,1-2H3;/q-2;
InChIKeyYSYDBEQPCYGLOJ-UHFFFAOYSA-N
XLogP1.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.11
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutane;yttrium
CID 157105537
butan-2-ol;yttrium
CID 59946185
magnesium;2-methanidyl-6-methyloctane;chloride
CID 168763498
(2R)-2-methanidyl-1-propoxypropane;bis(yttrium)
CID 171424381
butane;carbanide;ethane;methane;hexakis(yttrium)
CID 161064104
bis(3-methanidylpentane);tungsten(2+)
CID 58814797
2-methanidyl-3-methylhexane;yttrium
CID 59834399
carbanide;3,11-dimethyltetradecane;yttrium
CID 58340688
carbanide;3-methylhexadecane;yttrium
CID 58340668
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
bis(2-methanidylbutane);tungsten;tungsten(2+)
CID 157130692

Frequently Asked Questions

What is the IUPAC name of N-propylbutan-2-amine;yttrium?
The IUPAC name of N-propylbutan-2-amine;yttrium (CID 59885573) is N-propylbutan-2-amine;yttrium.
What is the SMILES notation for N-propylbutan-2-amine;yttrium?
The canonical SMILES for N-propylbutan-2-amine;yttrium is [CH2-]C(CC)NC[CH-]C.[Y].
What is the InChIKey of N-propylbutan-2-amine;yttrium?
The InChIKey is YSYDBEQPCYGLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.Y/c1-4-6-8-7(3)5-2;/h4,7-8H,3,5-6H2,1-2H3;/q-2;.
What are the key properties of N-propylbutan-2-amine;yttrium?
N-propylbutan-2-amine;yttrium has a molecular weight of 202.11 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylbutan-2-amine;yttrium is sourced from PubChem (CID 59885573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).