N,7,7-trimethylnonan-3-imine

C12H25N — CID 91001391

IUPACN,7,7-trimethylnonan-3-imine
SMILESCC/C(CCCC(C)(C)CC)=N\C
InChIInChI=1S/C12H25N/c1-6-11(13-5)9-8-10-12(3,4)7-2/h6-10H2,1-5H3/b13-11+
InChIKeyMFDGEULAAKSZRJ-ACCUITESSA-N
MW183.34 g/mol
LogP4.07
Rot. Bonds6

About N,7,7-trimethylnonan-3-imine

N,7,7-trimethylnonan-3-imine (PubChem CID 91001391) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,7,7-trimethylnonan-3-imine.

Molecular Properties

Compound NameN,7,7-trimethylnonan-3-imine
PubChem CID91001391
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,7,7-trimethylnonan-3-imine
SMILESCC/C(CCCC(C)(C)CC)=N\C
InChIInChI=1S/C12H25N/c1-6-11(13-5)9-8-10-12(3,4)7-2/h6-10H2,1-5H3/b13-11+
InChIKeyMFDGEULAAKSZRJ-ACCUITESSA-N
XLogP4.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,7,7-trimethylnonan-3-imine?
The IUPAC name of N,7,7-trimethylnonan-3-imine (CID 91001391) is N,7,7-trimethylnonan-3-imine.
What is the SMILES notation for N,7,7-trimethylnonan-3-imine?
The canonical SMILES for N,7,7-trimethylnonan-3-imine is CC/C(CCCC(C)(C)CC)=N\C.
What is the InChIKey of N,7,7-trimethylnonan-3-imine?
The InChIKey is MFDGEULAAKSZRJ-ACCUITESSA-N. The full InChI is InChI=1S/C12H25N/c1-6-11(13-5)9-8-10-12(3,4)7-2/h6-10H2,1-5H3/b13-11+.
What are the key properties of N,7,7-trimethylnonan-3-imine?
N,7,7-trimethylnonan-3-imine has a molecular weight of 183.34 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,7-trimethylnonan-3-imine is sourced from PubChem (CID 91001391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).