5-methyl-3-(2-methylpropyl)heptan-1-imine

C12H25N — CID 170290913

IUPAC5-methyl-3-(2-methylpropyl)heptan-1-imine
SMILES[H]/N=C\CC(CC(C)C)CC(C)CC
InChIInChI=1S/C12H25N/c1-5-11(4)9-12(6-7-13)8-10(2)3/h7,10-13H,5-6,8-9H2,1-4H3/b13-7-
InChIKeyXHEOKKZOHCVIQE-QPEQYQDCSA-N
MW183.34 g/mol
LogP4.12
Rot. Bonds7

About 5-methyl-3-(2-methylpropyl)heptan-1-imine

5-methyl-3-(2-methylpropyl)heptan-1-imine (PubChem CID 170290913) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropyl)heptan-1-imine.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropyl)heptan-1-imine
PubChem CID170290913
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name5-methyl-3-(2-methylpropyl)heptan-1-imine
SMILES[H]/N=C\CC(CC(C)C)CC(C)CC
InChIInChI=1S/C12H25N/c1-5-11(4)9-12(6-7-13)8-10(2)3/h7,10-13H,5-6,8-9H2,1-4H3/b13-7-
InChIKeyXHEOKKZOHCVIQE-QPEQYQDCSA-N
XLogP4.12
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 63498321
(4S)-2,4-dimethylhexane
CID 22810193
2,4-dimethylhexan-1-imine
CID 88882138
3,6-dimethylheptan-1-imine
CID 175257042
(5S)-3-ethyl-5-methylheptane
CID 59094044
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383
(Z)-3-[(2S)-butan-2-yl]hex-4-en-1-imine
CID 118687334
2,4,6,8-tetramethyldecane
CID 54224604
4-methylheptane-1,7-diimine
CID 139852006
3-ethylphosphanylbutan-1-imine
CID 123356939
3-methylpentanethial
CID 18959784

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropyl)heptan-1-imine?
The IUPAC name of 5-methyl-3-(2-methylpropyl)heptan-1-imine (CID 170290913) is 5-methyl-3-(2-methylpropyl)heptan-1-imine.
What is the SMILES notation for 5-methyl-3-(2-methylpropyl)heptan-1-imine?
The canonical SMILES for 5-methyl-3-(2-methylpropyl)heptan-1-imine is [H]/N=C\CC(CC(C)C)CC(C)CC.
What is the InChIKey of 5-methyl-3-(2-methylpropyl)heptan-1-imine?
The InChIKey is XHEOKKZOHCVIQE-QPEQYQDCSA-N. The full InChI is InChI=1S/C12H25N/c1-5-11(4)9-12(6-7-13)8-10(2)3/h7,10-13H,5-6,8-9H2,1-4H3/b13-7-.
What are the key properties of 5-methyl-3-(2-methylpropyl)heptan-1-imine?
5-methyl-3-(2-methylpropyl)heptan-1-imine has a molecular weight of 183.34 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropyl)heptan-1-imine is sourced from PubChem (CID 170290913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).