N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium)

C16H38N2V18Y2-4 — CID 159948209

IUPACN,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium)
SMILESC.CC.CC.[CH2-]N([CH2-])C(C)C.[H]/[C-]=C/N([CH2-])C(C)C.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[Y].[Y]
InChIInChI=1S/C6H11N.C5H11N.2C2H6.CH4.18V.2Y/c1-5-7(4)6(2)3;1-5(2)6(3)4;2*1-2;;;;;;;;;;;;;;;;;;;;;/h1,5-6H,4H2,2-3H3;5H,3-4H2,1-2H3;2*1-2H3;1H4;;;;;;;;;;;;;;;;;;;;/q2*-2;;;;;;;;;;;;;;;;;;;;;;;
InChIKeySWFTWAOHQCDKHL-UHFFFAOYSA-N
MW1353.30 g/mol
LogP5.35
Rot. Bonds3

About N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium)

N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium) (PubChem CID 159948209) has the molecular formula C16H38N2V18Y2-4 and a molecular weight of 1353.30 g/mol. Its IUPAC name is N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium).

Molecular Properties

Compound NameN,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium)
PubChem CID159948209
Molecular FormulaC16H38N2V18Y2-4
Molecular Weight1353.30 g/mol
Exact Mass1353.11
IUPAC NameN,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium)
SMILESC.CC.CC.[CH2-]N([CH2-])C(C)C.[H]/[C-]=C/N([CH2-])C(C)C.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[Y].[Y]
InChIInChI=1S/C6H11N.C5H11N.2C2H6.CH4.18V.2Y/c1-5-7(4)6(2)3;1-5(2)6(3)4;2*1-2;;;;;;;;;;;;;;;;;;;;;/h1,5-6H,4H2,2-3H3;5H,3-4H2,1-2H3;2*1-2H3;1H4;;;;;;;;;;;;;;;;;;;;/q2*-2;;;;;;;;;;;;;;;;;;;;;;;
InChIKeySWFTWAOHQCDKHL-UHFFFAOYSA-N
XLogP5.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001353.30
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbanide;N,N-dimethanidylpropan-2-amine;methane;yttrium(3+)
CID 162061265
buta-1,3-diene;ethane;methane;phosphane;yttrium
CID 160888300
but-1-ene;2-methylpropane;yttrium
CID 178013549
2-methyl-N,N-di(propan-2-yl)prop-1-en-1-amine
CID 4278481
(4S)-4-methyloct-7-ene-2,6-dione;yttrium
CID 59788978
N,N-bis(ethenyl)propan-2-amine;ethane
CID 171846694
buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+)
CID 162271507
(3Z)-2-methylpenta-1,3-diene;yttrium
CID 58172805
zinc;prop-1-ene;chloride
CID 159587457
ethane;N-ethenyl-N-methylpropan-2-amine
CID 145207975
N,N-di(propan-2-yl)methanimidamide
CID 19782034
ethane;methane;2-methylpropane
CID 161431647

Frequently Asked Questions

What is the IUPAC name of N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium)?
The IUPAC name of N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium) (CID 159948209) is N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium).
What is the SMILES notation for N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium)?
The canonical SMILES for N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium) is C.CC.CC.[CH2-]N([CH2-])C(C)C.[H]/[C-]=C/N([CH2-])C(C)C.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[Y].[Y].
What is the InChIKey of N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium)?
The InChIKey is SWFTWAOHQCDKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C5H11N.2C2H6.CH4.18V.2Y/c1-5-7(4)6(2)3;1-5(2)6(3)4;2*1-2;;;;;;;;;;;;;;;;;;;;;/h1,5-6H,4H2,2-3H3;5H,3-4H2,1-2H3;2*1-2H3;1H4;;;;;;;;;;;;;;;;;;;;/q2*-2;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium)?
N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium) has a molecular weight of 1353.30 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethanidylpropan-2-amine;ethane;N-ethenyl-N-methanidylpropan-2-amine;methane;octadecakis(vanadium);bis(yttrium) is sourced from PubChem (CID 159948209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).