CID 59280458

C6H14N — CID 59280458

IUPAC—
SMILES[CH2-][NH+]C(C)C(C)C
InChIInChI=1S/C6H14N/c1-5(2)6(3)7-4/h5-7H,4H2,1-3H3
InChIKeyRONIDQHELMEKRO-UHFFFAOYSA-N
MW100.19 g/mol
LogP0.17
Rot. Bonds2

About CID 59280458

CID 59280458 (PubChem CID 59280458) has the molecular formula C6H14N and a molecular weight of 100.19 g/mol.

Molecular Properties

Compound NameCID 59280458
PubChem CID59280458
Molecular FormulaC6H14N
Molecular Weight100.19 g/mol
Exact Mass100.11
IUPAC Name—
SMILES[CH2-][NH+]C(C)C(C)C
InChIInChI=1S/C6H14N/c1-5(2)6(3)7-4/h5-7H,4H2,1-3H3
InChIKeyRONIDQHELMEKRO-UHFFFAOYSA-N
XLogP0.17
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59280458?
The IUPAC name of CID 59280458 (CID 59280458) is not available.
What is the SMILES notation for CID 59280458?
The canonical SMILES for CID 59280458 is [CH2-][NH+]C(C)C(C)C.
What is the InChIKey of CID 59280458?
The InChIKey is RONIDQHELMEKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N/c1-5(2)6(3)7-4/h5-7H,4H2,1-3H3.
What are the key properties of CID 59280458?
CID 59280458 has a molecular weight of 100.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59280458 is sourced from PubChem (CID 59280458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).