2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine

C12H25N — CID 131886244

IUPAC2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine
SMILESCC(C)/C=N/C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25N/c1-10(2)8-13-12(6,7)9-11(3,4)5/h8,10H,9H2,1-7H3/b13-8+
InChIKeyLATRNXTYRJETCO-MDWZMJQESA-N
MW183.34 g/mol
LogP3.93
Rot. Bonds3

About 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine

2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine (PubChem CID 131886244) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine
PubChem CID131886244
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine
SMILESCC(C)/C=N/C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25N/c1-10(2)8-13-12(6,7)9-11(3,4)5/h8,10H,9H2,1-7H3/b13-8+
InChIKeyLATRNXTYRJETCO-MDWZMJQESA-N
XLogP3.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide
CID 11344299
trichloro(2,4,4-trimethylpentan-2-ylimino)niobium
CID 87500633
2-methyl-N-(2-methylpropylideneamino)propan-2-amine
CID 54524239
2-methyl-N-[(E)-2-methylpropylideneamino]propan-2-amine
CID 13183553
N-[(1Z)-1-hydrazinylidene-2,3-dimethylpentan-2-yl]-2-methylpropan-1-imine
CID 163299551
3,5,5-trimethyl-3-propan-2-ylhex-1-ene
CID 123318417
N-[(1Z)-1-hydrazinylidene-2,3-dimethylpentan-2-yl]-2-methylpropan-1-imine;molecular hydrogen
CID 163299550
4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane
CID 167346782
3,3,5,5-tetramethylhexan-2-amine
CID 143433307
2,5,5-trimethyl-3-propan-2-ylhexan-3-amine
CID 167343931
2-methyl-N-[2-[3-[2-(2-methylpropylideneamino)propan-2-yl]phenyl]propan-2-yl]propan-1-imine
CID 172559371
2,4,4-trimethylpentan-2-amine;hydroiodide
CID 155859228

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine?
The IUPAC name of 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine (CID 131886244) is 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine.
What is the SMILES notation for 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine?
The canonical SMILES for 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine is CC(C)/C=N/C(C)(C)CC(C)(C)C.
What is the InChIKey of 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine?
The InChIKey is LATRNXTYRJETCO-MDWZMJQESA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)8-13-12(6,7)9-11(3,4)5/h8,10H,9H2,1-7H3/b13-8+.
What are the key properties of 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine?
2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine has a molecular weight of 183.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,4-trimethylpentan-2-yl)propan-1-imine is sourced from PubChem (CID 131886244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).