CID 158321019

C7H21FN2 — CID 158321019

IUPAC—
SMILESC.CC(C)NCCCN.[3H]F
InChIInChI=1S/C6H16N2.CH4.FH/c1-6(2)8-5-3-4-7;;/h6,8H,3-5,7H2,1-2H3;1H4;1H/i/hT
InChIKeyGOVRYYGBXCEYSS-MNYXATJNSA-N
MW154.27 g/mol
LogP1.12
Rot. Bonds4

About CID 158321019

CID 158321019 (PubChem CID 158321019) has the molecular formula C7H21FN2 and a molecular weight of 154.27 g/mol.

Molecular Properties

Compound NameCID 158321019
PubChem CID158321019
Molecular FormulaC7H21FN2
Molecular Weight154.27 g/mol
Exact Mass154.18
IUPAC Name—
SMILESC.CC(C)NCCCN.[3H]F
InChIInChI=1S/C6H16N2.CH4.FH/c1-6(2)8-5-3-4-7;;/h6,8H,3-5,7H2,1-2H3;1H4;1H/i/hT
InChIKeyGOVRYYGBXCEYSS-MNYXATJNSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158321019?
The IUPAC name of CID 158321019 (CID 158321019) is not available.
What is the SMILES notation for CID 158321019?
The canonical SMILES for CID 158321019 is C.CC(C)NCCCN.[3H]F.
What is the InChIKey of CID 158321019?
The InChIKey is GOVRYYGBXCEYSS-MNYXATJNSA-N. The full InChI is InChI=1S/C6H16N2.CH4.FH/c1-6(2)8-5-3-4-7;;/h6,8H,3-5,7H2,1-2H3;1H4;1H/i/hT.
What are the key properties of CID 158321019?
CID 158321019 has a molecular weight of 154.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158321019 is sourced from PubChem (CID 158321019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).