butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium

C23H60N4Y-2 — CID 158510673

IUPACbutane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium
SMILESC.C.C1CCCC1.CCN.CCN.CCN.NCC1CCCC1.[CH2-]CC[CH2-].[Y]
InChIInChI=1S/C6H13N.C5H10.C4H8.3C2H7N.2CH4.Y/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;1-3-4-2;3*1-2-3;;;/h6H,1-5,7H2;1-5H2;1-4H2;3*2-3H2,1H3;2*1H4;/q;;-2;;;;;;
InChIKeyBGWQLWGUGLJDAX-UHFFFAOYSA-N
MW481.67 g/mol
LogP5.69
Rot. Bonds2

About butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium

butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium (PubChem CID 158510673) has the molecular formula C23H60N4Y-2 and a molecular weight of 481.67 g/mol. Its IUPAC name is butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium.

Molecular Properties

Compound Namebutane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium
PubChem CID158510673
Molecular FormulaC23H60N4Y-2
Molecular Weight481.67 g/mol
Exact Mass481.39
IUPAC Namebutane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium
SMILESC.C.C1CCCC1.CCN.CCN.CCN.NCC1CCCC1.[CH2-]CC[CH2-].[Y]
InChIInChI=1S/C6H13N.C5H10.C4H8.3C2H7N.2CH4.Y/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;1-3-4-2;3*1-2-3;;;/h6H,1-5,7H2;1-5H2;1-4H2;3*2-3H2,1H3;2*1H4;/q;;-2;;;;;;
InChIKeyBGWQLWGUGLJDAX-UHFFFAOYSA-N
XLogP5.69
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.67
LogP ≤ 55.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylmethanamine;methanol
CID 70430105
cyclohexylmethanamine;hydrochloride
CID 3039618
cyclohexylmethanamine;hydrobromide
CID 13001131
cyclohexanamine;cyclohexylmethanamine
CID 174974863
carbonic acid;cyclohexylmethanamine
CID 67545146
(5-methylcyclononyl)methanamine
CID 91548607
(5,5-dimethylcyclononyl)methanamine
CID 129138997
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
carbonyl dichloride;cyclopentylmethanamine
CID 175500513
N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine
CID 154972163
ethylcyclopentane;methane
CID 143390575
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929

Frequently Asked Questions

What is the IUPAC name of butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium?
The IUPAC name of butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium (CID 158510673) is butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium.
What is the SMILES notation for butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium?
The canonical SMILES for butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium is C.C.C1CCCC1.CCN.CCN.CCN.NCC1CCCC1.[CH2-]CC[CH2-].[Y].
What is the InChIKey of butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium?
The InChIKey is BGWQLWGUGLJDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H10.C4H8.3C2H7N.2CH4.Y/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;1-3-4-2;3*1-2-3;;;/h6H,1-5,7H2;1-5H2;1-4H2;3*2-3H2,1H3;2*1H4;/q;;-2;;;;;;.
What are the key properties of butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium?
butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium has a molecular weight of 481.67 g/mol, XLogP of 5.69, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;cyclopentane;cyclopentylmethanamine;ethanamine;methane;yttrium is sourced from PubChem (CID 158510673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).