heptan-2-imine;propane;tungsten

C10H23NW — CID 57359574

IUPACheptan-2-imine;propane;tungsten
SMILESCCC.[H]/N=C(\C)CCCCC.[W]
InChIInChI=1S/C7H15N.C3H8.W/c1-3-4-5-6-7(2)8;1-3-2;/h8H,3-6H2,1-2H3;3H2,1-2H3;/b8-7+;;
InChIKeyXABQVFIAGAHIRX-MIIBGCIDSA-N
MW341.14 g/mol
LogP4.02
Rot. Bonds4

About heptan-2-imine;propane;tungsten

heptan-2-imine;propane;tungsten (PubChem CID 57359574) has the molecular formula C10H23NW and a molecular weight of 341.14 g/mol. Its IUPAC name is heptan-2-imine;propane;tungsten.

Molecular Properties

Compound Nameheptan-2-imine;propane;tungsten
PubChem CID57359574
Molecular FormulaC10H23NW
Molecular Weight341.14 g/mol
Exact Mass341.13
IUPAC Nameheptan-2-imine;propane;tungsten
SMILESCCC.[H]/N=C(\C)CCCCC.[W]
InChIInChI=1S/C7H15N.C3H8.W/c1-3-4-5-6-7(2)8;1-3-2;/h8H,3-6H2,1-2H3;3H2,1-2H3;/b8-7+;;
InChIKeyXABQVFIAGAHIRX-MIIBGCIDSA-N
XLogP4.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-methylnon-8-en-2-imine
CID 163908836
7-iminooctan-1-amine
CID 174433043
8-methyl-7-propan-2-ylnonan-2-imine
CID 58164973
5-[4-(4-pentylphenyl)phenyl]pentan-2-imine
CID 170077032
CID 11105912
CID 11105912
4-imino-N-methylpentan-1-amine
CID 146836527
4-imino-N,N-dimethylpentan-1-amine;uranium
CID 159962032
N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide
CID 123699210
5,9-dimethylundecan-2-imine
CID 163570105
2-iminotetradecane-1-thiol
CID 167079244
3-iminododecan-1-ol
CID 57239624
4,11-diimino-N-methyldodecan-1-amine
CID 159770178

Frequently Asked Questions

What is the IUPAC name of heptan-2-imine;propane;tungsten?
The IUPAC name of heptan-2-imine;propane;tungsten (CID 57359574) is heptan-2-imine;propane;tungsten.
What is the SMILES notation for heptan-2-imine;propane;tungsten?
The canonical SMILES for heptan-2-imine;propane;tungsten is CCC.[H]/N=C(\C)CCCCC.[W].
What is the InChIKey of heptan-2-imine;propane;tungsten?
The InChIKey is XABQVFIAGAHIRX-MIIBGCIDSA-N. The full InChI is InChI=1S/C7H15N.C3H8.W/c1-3-4-5-6-7(2)8;1-3-2;/h8H,3-6H2,1-2H3;3H2,1-2H3;/b8-7+;;.
What are the key properties of heptan-2-imine;propane;tungsten?
heptan-2-imine;propane;tungsten has a molecular weight of 341.14 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-2-imine;propane;tungsten is sourced from PubChem (CID 57359574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).