N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide)

C14H33N5 — CID 54479690

IUPACN-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide)
SMILESC/N=C(\C)N(C)C.C/N=C(\C)N(C)C.CN=C(C)C
InChIInChI=1S/2C5H12N2.C4H9N/c2*1-5(6-2)7(3)4;1-4(2)5-3/h2*1-4H3;1-3H3/b2*6-5+;
InChIKeyXODDWCGMVLMYRC-PJJNIZFLSA-N
MW271.45 g/mol
LogP2.29
Rot. Bonds

About N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide)

N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide) (PubChem CID 54479690) has the molecular formula C14H33N5 and a molecular weight of 271.45 g/mol. Its IUPAC name is N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide).

Molecular Properties

Compound NameN-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide)
PubChem CID54479690
Molecular FormulaC14H33N5
Molecular Weight271.45 g/mol
Exact Mass271.27
IUPAC NameN-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide)
SMILESC/N=C(\C)N(C)C.C/N=C(\C)N(C)C.CN=C(C)C
InChIInChI=1S/2C5H12N2.C4H9N/c2*1-5(6-2)7(3)4;1-4(2)5-3/h2*1-4H3;1-3H3/b2*6-5+;
InChIKeyXODDWCGMVLMYRC-PJJNIZFLSA-N
XLogP2.29
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide)?
The IUPAC name of N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide) (CID 54479690) is N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide).
What is the SMILES notation for N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide)?
The canonical SMILES for N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide) is C/N=C(\C)N(C)C.C/N=C(\C)N(C)C.CN=C(C)C.
What is the InChIKey of N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide)?
The InChIKey is XODDWCGMVLMYRC-PJJNIZFLSA-N. The full InChI is InChI=1S/2C5H12N2.C4H9N/c2*1-5(6-2)7(3)4;1-4(2)5-3/h2*1-4H3;1-3H3/b2*6-5+;.
What are the key properties of N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide)?
N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide) has a molecular weight of 271.45 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropan-2-imine;bis(N,N,N'-trimethylethanimidamide) is sourced from PubChem (CID 54479690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).