(2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine

C9H16N2 — CID 88949138

IUPAC(2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine
SMILESC=N/C=C(\C=N\C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-9(2,3)8(6-10-4)7-11-5/h6-7H,4H2,1-3,5H3/b8-6+,11-7+
InChIKeySYMHNUBILIFSKU-JMFBPXTISA-N
MW152.24 g/mol
LogP2.32
Rot. Bonds2

About (2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine

(2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine (PubChem CID 88949138) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine.

Molecular Properties

Compound Name(2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine
PubChem CID88949138
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine
SMILESC=N/C=C(\C=N\C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-9(2,3)8(6-10-4)7-11-5/h6-7H,4H2,1-3,5H3/b8-6+,11-7+
InChIKeySYMHNUBILIFSKU-JMFBPXTISA-N
XLogP2.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine?
The IUPAC name of (2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine (CID 88949138) is (2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine.
What is the SMILES notation for (2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine?
The canonical SMILES for (2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine is C=N/C=C(\C=N\C)C(C)(C)C.
What is the InChIKey of (2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine?
The InChIKey is SYMHNUBILIFSKU-JMFBPXTISA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,3)8(6-10-4)7-11-5/h6-7H,4H2,1-3,5H3/b8-6+,11-7+.
What are the key properties of (2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine?
(2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine has a molecular weight of 152.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine is sourced from PubChem (CID 88949138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).