ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium

C21H48N3V- — CID 172589539

IUPACethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium
SMILESCC.CC.CC.CN1CCC(C[N-]CCN(C)CC2(C)CC2)CC1.[V]
InChIInChI=1S/C15H30N3.3C2H6.V/c1-15(6-7-15)13-18(3)11-8-16-12-14-4-9-17(2)10-5-14;3*1-2;/h14H,4-13H2,1-3H3;3*1-2H3;/q-1;;;;
InChIKeyVWWADVQQFCKGOM-UHFFFAOYSA-N
MW393.58 g/mol
LogP5.51
Rot. Bonds7

About ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium

ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium (PubChem CID 172589539) has the molecular formula C21H48N3V- and a molecular weight of 393.58 g/mol. Its IUPAC name is ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium.

Molecular Properties

Compound Nameethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium
PubChem CID172589539
Molecular FormulaC21H48N3V-
Molecular Weight393.58 g/mol
Exact Mass393.33
IUPAC Nameethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium
SMILESCC.CC.CC.CN1CCC(C[N-]CCN(C)CC2(C)CC2)CC1.[V]
InChIInChI=1S/C15H30N3.3C2H6.V/c1-15(6-7-15)13-18(3)11-8-16-12-14-4-9-17(2)10-5-14;3*1-2;/h14H,4-13H2,1-3H3;3*1-2H3;/q-1;;;;
InChIKeyVWWADVQQFCKGOM-UHFFFAOYSA-N
XLogP5.51
TPSA20.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460030
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
1-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]cyclopentan-1-amine
CID 64681854
1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane
CID 142327129
[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115243609
N-[(2-amino-1-methylcyclopentyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 82767748
N-[(1-aminocyclopropyl)methyl]-N,1-dimethylpyrrolidin-3-amine
CID 115256600
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
3-(aminomethyl)-N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-amine
CID 55175188
ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 144721860

Frequently Asked Questions

What is the IUPAC name of ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium?
The IUPAC name of ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium (CID 172589539) is ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium.
What is the SMILES notation for ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium?
The canonical SMILES for ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium is CC.CC.CC.CN1CCC(C[N-]CCN(C)CC2(C)CC2)CC1.[V].
What is the InChIKey of ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium?
The InChIKey is VWWADVQQFCKGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N3.3C2H6.V/c1-15(6-7-15)13-18(3)11-8-16-12-14-4-9-17(2)10-5-14;3*1-2;/h14H,4-13H2,1-3H3;3*1-2H3;/q-1;;;;.
What are the key properties of ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium?
ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium has a molecular weight of 393.58 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium is sourced from PubChem (CID 172589539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).