N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide

C9H21N3 — CID 54407798

IUPACN-methylpropan-2-imine;N,N,N'-trimethylethanimidamide
SMILESC/N=C(\C)N(C)C.CN=C(C)C
InChIInChI=1S/C5H12N2.C4H9N/c1-5(6-2)7(3)4;1-4(2)5-3/h1-4H3;1-3H3/b6-5+;
InChIKeyVRZAAKCSBTVRLM-IPZCTEOASA-N
MW171.29 g/mol
LogP1.69
Rot. Bonds

About N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide

N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide (PubChem CID 54407798) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide.

Molecular Properties

Compound NameN-methylpropan-2-imine;N,N,N'-trimethylethanimidamide
PubChem CID54407798
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN-methylpropan-2-imine;N,N,N'-trimethylethanimidamide
SMILESC/N=C(\C)N(C)C.CN=C(C)C
InChIInChI=1S/C5H12N2.C4H9N/c1-5(6-2)7(3)4;1-4(2)5-3/h1-4H3;1-3H3/b6-5+;
InChIKeyVRZAAKCSBTVRLM-IPZCTEOASA-N
XLogP1.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;N,N,N'-trimethylethanimidamide?
The IUPAC name of N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide (CID 54407798) is N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide.
What is the SMILES notation for N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide?
The canonical SMILES for N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide is C/N=C(\C)N(C)C.CN=C(C)C.
What is the InChIKey of N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide?
The InChIKey is VRZAAKCSBTVRLM-IPZCTEOASA-N. The full InChI is InChI=1S/C5H12N2.C4H9N/c1-5(6-2)7(3)4;1-4(2)5-3/h1-4H3;1-3H3/b6-5+;.
What are the key properties of N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide?
N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide has a molecular weight of 171.29 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropan-2-imine;N,N,N'-trimethylethanimidamide is sourced from PubChem (CID 54407798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).