ethane;N-ethyl-N-methylbutan-2-amine;vanadium

C9H22NV- — CID 177053433

IUPACethane;N-ethyl-N-methylbutan-2-amine;vanadium
SMILESCC.[CH2-]CN(C)C(C)CC.[V]
InChIInChI=1S/C7H16N.C2H6.V/c1-5-7(3)8(4)6-2;1-2;/h7H,2,5-6H2,1,3-4H3;1-2H3;/q-1;;
InChIKeyKTIACRBFOZDRQR-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.57
Rot. Bonds3

About ethane;N-ethyl-N-methylbutan-2-amine;vanadium

ethane;N-ethyl-N-methylbutan-2-amine;vanadium (PubChem CID 177053433) has the molecular formula C9H22NV- and a molecular weight of 195.23 g/mol. Its IUPAC name is ethane;N-ethyl-N-methylbutan-2-amine;vanadium.

Molecular Properties

Compound Nameethane;N-ethyl-N-methylbutan-2-amine;vanadium
PubChem CID177053433
Molecular FormulaC9H22NV-
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Nameethane;N-ethyl-N-methylbutan-2-amine;vanadium
SMILESCC.[CH2-]CN(C)C(C)CC.[V]
InChIInChI=1S/C7H16N.C2H6.V/c1-5-7(3)8(4)6-2;1-2;/h7H,2,5-6H2,1,3-4H3;1-2H3;/q-1;;
InChIKeyKTIACRBFOZDRQR-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 159533219
N-(2-chloropropyl)-N-methylbutan-2-amine
CID 79445031
N-methyl-N-prop-2-ynylbutan-2-amine
CID 3072560
(2S)-N-methyl-N-prop-2-ynylbutan-2-amine
CID 15688751
2-[butan-2-yl(methyl)amino]ethanesulfonic acid
CID 170225415
N-(2,2-dimethoxyethyl)-N-methylbutan-2-amine
CID 66223820
N-methyl-N-prop-2-ynylbutan-2-amine;hydrochloride
CID 3072559
N-(3-chloropropyl)-N-methylbutan-2-amine
CID 61287944
N-methyl-N-methylsulfanylbutan-2-amine
CID 123569080
N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine
CID 130854891
N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine
CID 131246188

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methylbutan-2-amine;vanadium?
The IUPAC name of ethane;N-ethyl-N-methylbutan-2-amine;vanadium (CID 177053433) is ethane;N-ethyl-N-methylbutan-2-amine;vanadium.
What is the SMILES notation for ethane;N-ethyl-N-methylbutan-2-amine;vanadium?
The canonical SMILES for ethane;N-ethyl-N-methylbutan-2-amine;vanadium is CC.[CH2-]CN(C)C(C)CC.[V].
What is the InChIKey of ethane;N-ethyl-N-methylbutan-2-amine;vanadium?
The InChIKey is KTIACRBFOZDRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.C2H6.V/c1-5-7(3)8(4)6-2;1-2;/h7H,2,5-6H2,1,3-4H3;1-2H3;/q-1;;.
What are the key properties of ethane;N-ethyl-N-methylbutan-2-amine;vanadium?
ethane;N-ethyl-N-methylbutan-2-amine;vanadium has a molecular weight of 195.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methylbutan-2-amine;vanadium is sourced from PubChem (CID 177053433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).