azane;hexan-1-imine

C6H16N2 — CID 158895938

IUPACazane;hexan-1-imine
SMILESN.[H]/N=C/CCCCC
InChIInChI=1S/C6H13N.H3N/c1-2-3-4-5-6-7;/h6-7H,2-5H2,1H3;1H3/b7-6+;
InChIKeyJEVGQAMRFJLYBW-UHDJGPCESA-N
MW116.21 g/mol
LogP2.38
Rot. Bonds4

About azane;hexan-1-imine

azane;hexan-1-imine (PubChem CID 158895938) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is azane;hexan-1-imine.

Molecular Properties

Compound Nameazane;hexan-1-imine
PubChem CID158895938
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Nameazane;hexan-1-imine
SMILESN.[H]/N=C/CCCCC
InChIInChI=1S/C6H13N.H3N/c1-2-3-4-5-6-7;/h6-7H,2-5H2,1H3;1H3/b7-6+;
InChIKeyJEVGQAMRFJLYBW-UHDJGPCESA-N
XLogP2.38
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

hexan-1-imine;platinum;dihydrate
CID 175690790
dichlorocopper;hexan-1-imine
CID 175941191
bis(cobalt(3+));hexan-1-imine;trisulfate
CID 86757216
hexan-1-imine;platinum(4+);dicarbonate
CID 175704271
hexane-1,6-diimine;hydrochloride
CID 175422205
N-(3-iminopropyl)tetradecan-1-amine
CID 57007128
octane-1,5-diimine
CID 129214712
N-ethyl-4-iminobutan-1-amine
CID 155382614
6-methylnon-5-en-1-imine
CID 90789693
4-methylsulfanylbutan-1-imine
CID 88877345
3-propylsulfanylpropan-1-imine
CID 123742984
azane;hexane
CID 18428977

Frequently Asked Questions

What is the IUPAC name of azane;hexan-1-imine?
The IUPAC name of azane;hexan-1-imine (CID 158895938) is azane;hexan-1-imine.
What is the SMILES notation for azane;hexan-1-imine?
The canonical SMILES for azane;hexan-1-imine is N.[H]/N=C/CCCCC.
What is the InChIKey of azane;hexan-1-imine?
The InChIKey is JEVGQAMRFJLYBW-UHDJGPCESA-N. The full InChI is InChI=1S/C6H13N.H3N/c1-2-3-4-5-6-7;/h6-7H,2-5H2,1H3;1H3/b7-6+;.
What are the key properties of azane;hexan-1-imine?
azane;hexan-1-imine has a molecular weight of 116.21 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexan-1-imine is sourced from PubChem (CID 158895938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).