bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+)

C12H24BrNV — CID 21017782

IUPACbromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+)
SMILES[CH2-]C1CCC(CN(C)C)CC1.[CH2-]CBr.[V+2]
InChIInChI=1S/C10H20N.C2H4Br.V/c1-9-4-6-10(7-5-9)8-11(2)3;1-2-3;/h9-10H,1,4-8H2,2-3H3;1-2H2;/q2*-1;+2
InChIKeyRVRPXXCVIIMYIB-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.40
Rot. Bonds2

About bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+)

bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+) (PubChem CID 21017782) has the molecular formula C12H24BrNV and a molecular weight of 313.18 g/mol. Its IUPAC name is bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+).

Molecular Properties

Compound Namebromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+)
PubChem CID21017782
Molecular FormulaC12H24BrNV
Molecular Weight313.18 g/mol
Exact Mass312.05
IUPAC Namebromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+)
SMILES[CH2-]C1CCC(CN(C)C)CC1.[CH2-]CBr.[V+2]
InChIInChI=1S/C10H20N.C2H4Br.V/c1-9-4-6-10(7-5-9)8-11(2)3;1-2-3;/h9-10H,1,4-8H2,2-3H3;1-2H2;/q2*-1;+2
InChIKeyRVRPXXCVIIMYIB-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+) with MolForge

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Related Compounds

1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
1-cycloheptyl-N,N-dimethylmethanamine
CID 58845214
N,N-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 139711377
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
azane;N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 175907731
1-[1-(bromomethylsulfonyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 83085091
[(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol
CID 146502695
carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)
CID 162293129
1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 65000008
N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine
CID 142282726
4-bromo-N-(cyclopropylmethyl)-N-methylbutan-1-amine
CID 61287552
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709

Frequently Asked Questions

What is the IUPAC name of bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+)?
The IUPAC name of bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+) (CID 21017782) is bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+).
What is the SMILES notation for bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+)?
The canonical SMILES for bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+) is [CH2-]C1CCC(CN(C)C)CC1.[CH2-]CBr.[V+2].
What is the InChIKey of bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+)?
The InChIKey is RVRPXXCVIIMYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N.C2H4Br.V/c1-9-4-6-10(7-5-9)8-11(2)3;1-2-3;/h9-10H,1,4-8H2,2-3H3;1-2H2;/q2*-1;+2.
What are the key properties of bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+)?
bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+) has a molecular weight of 313.18 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;1-(4-methanidylcyclohexyl)-N,N-dimethylmethanamine;vanadium(2+) is sourced from PubChem (CID 21017782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).