sodium;carbanide;N,N-di(ethyl)propan-2-amine

C8H18NNa-2 — CID 155618842

IUPACsodium;carbanide;N,N-di(ethyl)propan-2-amine
SMILES[CH2-]CN(C[CH2-])C(C)C.[CH3-].[Na+]
InChIInChI=1S/C7H15N.CH3.Na/c1-5-8(6-2)7(3)4;;/h7H,1-2,5-6H2,3-4H3;1H3;/q-2;-1;+1
InChIKeyGCUFDVUVCGXYMP-UHFFFAOYSA-N
MW151.23 g/mol
LogP-1.18
Rot. Bonds3

About sodium;carbanide;N,N-di(ethyl)propan-2-amine

sodium;carbanide;N,N-di(ethyl)propan-2-amine (PubChem CID 155618842) has the molecular formula C8H18NNa-2 and a molecular weight of 151.23 g/mol. Its IUPAC name is sodium;carbanide;N,N-di(ethyl)propan-2-amine.

Molecular Properties

Compound Namesodium;carbanide;N,N-di(ethyl)propan-2-amine
PubChem CID155618842
Molecular FormulaC8H18NNa-2
Molecular Weight151.23 g/mol
Exact Mass151.13
IUPAC Namesodium;carbanide;N,N-di(ethyl)propan-2-amine
SMILES[CH2-]CN(C[CH2-])C(C)C.[CH3-].[Na+]
InChIInChI=1S/C7H15N.CH3.Na/c1-5-8(6-2)7(3)4;;/h7H,1-2,5-6H2,3-4H3;1H3;/q-2;-1;+1
InChIKeyGCUFDVUVCGXYMP-UHFFFAOYSA-N
XLogP-1.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-1.18
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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Frequently Asked Questions

What is the IUPAC name of sodium;carbanide;N,N-di(ethyl)propan-2-amine?
The IUPAC name of sodium;carbanide;N,N-di(ethyl)propan-2-amine (CID 155618842) is sodium;carbanide;N,N-di(ethyl)propan-2-amine.
What is the SMILES notation for sodium;carbanide;N,N-di(ethyl)propan-2-amine?
The canonical SMILES for sodium;carbanide;N,N-di(ethyl)propan-2-amine is [CH2-]CN(C[CH2-])C(C)C.[CH3-].[Na+].
What is the InChIKey of sodium;carbanide;N,N-di(ethyl)propan-2-amine?
The InChIKey is GCUFDVUVCGXYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.CH3.Na/c1-5-8(6-2)7(3)4;;/h7H,1-2,5-6H2,3-4H3;1H3;/q-2;-1;+1.
What are the key properties of sodium;carbanide;N,N-di(ethyl)propan-2-amine?
sodium;carbanide;N,N-di(ethyl)propan-2-amine has a molecular weight of 151.23 g/mol, XLogP of -1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbanide;N,N-di(ethyl)propan-2-amine is sourced from PubChem (CID 155618842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).